4-(8-[1,4]Diazepan-1-yl-6-methyl-quinolin-7-yloxy)-butyric acid methyl ester

HCID 59366207

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)CCCOc1c(C)cc2cccnc2c1N1CCCNCC1
InChIKey: IDXRLCMWFVFROA-UHFFFAOYSA-N
Molecular formula: C20H27N3O3
Average molar mass: 357.4 g/mol

Names & identifiers

Preferred name: 4-(8-[1,4]Diazepan-1-yl-6-methyl-quinolin-7-yloxy)-butyric acid methyl ester
IUPAC: methyl 4-[8-(1,4-diazepan-1-yl)-6-methylquinolin-7-yl]oxybutanoate

Names & synonyms

SCHEMBL1063325IDXRLCMWFVFROA-UHFFFAOYSA-N4-(8-[1,4]-Diazepan-1-yl-6-methyl-quinolin-7-yloxy)-butyric acid methyl ester4-(8-[1,4]Diazepan-1-yl-6-methyl-quinolin-7-yloxy)-butyric acid methyl ester

Database identifiers

PubChem CID: 59366207

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 63.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 448

Related reactions

6 records

New reaction record

HRID 314609As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 532849As productuspto-grants-2014_10

HRID 532850As reactantuspto-grants-2014_10

HRID 689688As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2063575As productuspto-grants-2012_10

HRID 2063576As reactantuspto-grants-2012_10

Compound notes

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