7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one

C24H16ClNO2 — CID 67561298

IUPAC7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one
SMILESO=c1ccc2ccc(/C=C3\c4ccc(Cl)cc4COc4ccccc43)cc2[nH]1
InChIInChI=1S/C24H16ClNO2/c25-18-8-9-19-17(13-18)14-28-23-4-2-1-3-20(23)21(19)11-15-5-6-16-7-10-24(27)26-22(16)12-15/h1-13H,14H2,(H,26,27)/b21-11+
InChIKeyWILNZPHWDPEYRF-SRZZPIQSSA-N
MW385.85 g/mol
LogP5.66
Rot. Bonds1

About 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one

7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one (PubChem CID 67561298) has the molecular formula C24H16ClNO2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one
PubChem CID67561298
Molecular FormulaC24H16ClNO2
Molecular Weight385.85 g/mol
Exact Mass385.09
IUPAC Name7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one
SMILESO=c1ccc2ccc(/C=C3\c4ccc(Cl)cc4COc4ccccc43)cc2[nH]1
InChIInChI=1S/C24H16ClNO2/c25-18-8-9-19-17(13-18)14-28-23-4-2-1-3-20(23)21(19)11-15-5-6-16-7-10-24(27)26-22(16)12-15/h1-13H,14H2,(H,26,27)/b21-11+
InChIKeyWILNZPHWDPEYRF-SRZZPIQSSA-N
XLogP5.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

5-[(E)-(9-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one
CID 59770527
3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 151240600
8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine
CID 142258026
4-[(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68937460
5-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1,3-dimethylbenzimidazol-2-one
CID 59770541
6-[(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one
CID 68511030
5-[(3,7-difluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one
CID 68889701
3-(1-ethylpiperidin-4-yl)-6-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-benzimidazol-2-one
CID 11454182
5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one
CID 59770465
5-[(Z)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one
CID 59770114
3-chloro-5H-chromeno[4,3-b]pyridine
CID 15748939
3-[(3R)-1-ethylpyrrolidin-3-yl]-6-[(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-benzimidazol-2-one
CID 91246837

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one?
The IUPAC name of 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one (CID 67561298) is 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one is O=c1ccc2ccc(/C=C3\c4ccc(Cl)cc4COc4ccccc43)cc2[nH]1.
What is the InChIKey of 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one?
The InChIKey is WILNZPHWDPEYRF-SRZZPIQSSA-N. The full InChI is InChI=1S/C24H16ClNO2/c25-18-8-9-19-17(13-18)14-28-23-4-2-1-3-20(23)21(19)11-15-5-6-16-7-10-24(27)26-22(16)12-15/h1-13H,14H2,(H,26,27)/b21-11+.
What are the key properties of 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one?
7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one has a molecular weight of 385.85 g/mol, XLogP of 5.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 67561298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).