2-(5-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-5-(2-diethylamino-ethyl)-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one

HCID 68522641
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Basic information

Standard SMILES
CCN(CC)CCN1CCCc2[nH]c(C=C3C(=O)Nc4ccc(Cl)cc43)c(C)c2C1=O
InChIKey
GANJPVHUCZSXKG-UHFFFAOYSA-N
Molecular formula
C24H29ClN4O2
Average molar mass
441 g/mol

Names & identifiers

Preferred name
2-(5-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-5-(2-diethylamino-ethyl)-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
IUPAC
2-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-5-[2-(diethylamino)ethyl]-3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one

Names & synonyms

SCHEMBL3130281GANJPVHUCZSXKG-UHFFFAOYSA-N2-(5-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-5-(2-diethylamino-ethyl)-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one

Database identifiers

PubChem CID
68522641

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
68.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
31

Related reactions

1 records
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Compound notes

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