7-(Benzyloxy)-4-chloro-3-nitroquinoline

HCID 21075751

Notes Reactions

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Basic information

CAS: 749922-36-9
Standard SMILES: O=[N+]([O-])c1cnc2cc(OCc3ccccc3)ccc2c1Cl
InChIKey: XIIMGQMTEDEDNC-UHFFFAOYSA-N
Molecular formula: C16H11ClN2O3
Average molar mass: 314.72 g/mol
Monoisotopic mass: 314.04581989

Names & identifiers

Preferred name: 7-(Benzyloxy)-4-chloro-3-nitroquinoline
IUPAC: 4-chloro-3-nitro-7-phenylmethoxyquinoline

Names & synonyms

7-(benzyloxy)-4-chloro-3-nitroquinoline749922-36-9Quinoline, 4-chloro-3-nitro-7-(phenylmethoxy)-4-chloro-3-nitro-7-phenylmethoxyquinolineSCHEMBL203766DTXSID80610565XIIMGQMTEDEDNC-UHFFFAOYSA-N7-benzyloxy-4-chloro-3-nitroquinoline7-benzyloxy-4-chloro-3-nitro-quinolineDB-4125444-chloro-3-nitro-7-(phenylmethoxy)Quinoline

Database identifiers

CAS: 749922-36-9
PubChem CID: 21075751
DTXSID: DTXSID80610565

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 384

Related reactions

64 records

New reaction record

HRID 152951As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 169412As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 185908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 191755As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 221533As productuspto-grants-2012_06

HRID 294956As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 419288As productuspto-grants-2012_01

HRID 540805As productuspto-grants-2014_10

Compound notes

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