3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one

C20H14Cl2N4O — CID 110181348

IUPAC3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one
SMILESO=C1Nc2ccc(Cl)nc2C(c2ccccc2Cl)=NC1Nc1ccccc1
InChIInChI=1S/C20H14Cl2N4O/c21-14-9-5-4-8-13(14)17-18-15(10-11-16(22)25-18)24-20(27)19(26-17)23-12-6-2-1-3-7-12/h1-11,19,23H,(H,24,27)
InChIKeyWJPSUQRHSZVWBS-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.62
Rot. Bonds3

About 3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one

3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one (PubChem CID 110181348) has the molecular formula C20H14Cl2N4O and a molecular weight of 397.27 g/mol. Its IUPAC name is 3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one
PubChem CID110181348
Molecular FormulaC20H14Cl2N4O
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one
SMILESO=C1Nc2ccc(Cl)nc2C(c2ccccc2Cl)=NC1Nc1ccccc1
InChIInChI=1S/C20H14Cl2N4O/c21-14-9-5-4-8-13(14)17-18-15(10-11-16(22)25-18)24-20(27)19(26-17)23-12-6-2-1-3-7-12/h1-11,19,23H,(H,24,27)
InChIKeyWJPSUQRHSZVWBS-UHFFFAOYSA-N
XLogP4.62
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-(2-chloroanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 11718187
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110181061
5-(2-chlorophenyl)-3,7-difluoro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23332589
acetic acid;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23617880
7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110180900
(3S)-7-bromo-5-(2-chlorophenyl)-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 1372514
potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride
CID 175366173
5-(2-chlorophenyl)-3-fluoro-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23332704
7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
CID 13386708
3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 67868995
(3S)-5-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 146407007
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 67919374

Frequently Asked Questions

What is the IUPAC name of 3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one?
The IUPAC name of 3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one (CID 110181348) is 3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one.
What is the SMILES notation for 3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one?
The canonical SMILES for 3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one is O=C1Nc2ccc(Cl)nc2C(c2ccccc2Cl)=NC1Nc1ccccc1.
What is the InChIKey of 3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one?
The InChIKey is WJPSUQRHSZVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O/c21-14-9-5-4-8-13(14)17-18-15(10-11-16(22)25-18)24-20(27)19(26-17)23-12-6-2-1-3-7-12/h1-11,19,23H,(H,24,27).
What are the key properties of 3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one?
3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one has a molecular weight of 397.27 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-7-chloro-5-(2-chlorophenyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one is sourced from PubChem (CID 110181348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).