7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one

C17H11Cl2N3O — CID 110181149

IUPAC7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
SMILESC#CCN1C(=O)CN=C(c2ccccc2Cl)c2nc(Cl)ccc21
InChIInChI=1S/C17H11Cl2N3O/c1-2-9-22-13-7-8-14(19)21-17(13)16(20-10-15(22)23)11-5-3-4-6-12(11)18/h1,3-8H,9-10H2
InChIKeyNQLFIUAMBLCLPX-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.21
Rot. Bonds2

About 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one

7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one (PubChem CID 110181149) has the molecular formula C17H11Cl2N3O and a molecular weight of 344.20 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
PubChem CID110181149
Molecular FormulaC17H11Cl2N3O
Molecular Weight344.20 g/mol
Exact Mass343.03
IUPAC Name7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
SMILESC#CCN1C(=O)CN=C(c2ccccc2Cl)c2nc(Cl)ccc21
InChIInChI=1S/C17H11Cl2N3O/c1-2-9-22-13-7-8-14(19)21-17(13)16(20-10-15(22)23)11-5-3-4-6-12(11)18/h1,3-8H,9-10H2
InChIKeyNQLFIUAMBLCLPX-UHFFFAOYSA-N
XLogP3.21
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one with MolForge

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Related Compounds

7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110181173
7-chloro-5-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one
CID 76974323
5-(2-chlorophenyl)-7-(dimethylamino)-1-prop-2-enyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110181032
2-[7-chloro-5-(2-chlorophenyl)-4-oxido-2-oxo-3H-pyrido[3,2-e][1,4]diazepin-4-ium-1-yl]acetonitrile
CID 110181128
7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine
CID 110181250
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110181061
7-chloro-N-ethyl-5-(2-fluorophenyl)-2-oxo-3H-pyrido[3,2-e][1,4]diazepine-1-carboxamide
CID 110180901
7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110180900
7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine
CID 110181326
12-chloro-9-(2-chlorophenyl)-4-[2-(dimethylamino)ethyl]-8,11-diaza-2-azoniatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),8,11,13-pentaen-3-one
CID 110181289
7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 623112
[1-acetyl-7-chloro-5-(2-chlorophenyl)-2-oxo-3H-pyrido[3,2-e][1,4]diazepin-3-yl] acetate
CID 110180622

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one?
The IUPAC name of 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one (CID 110181149) is 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one.
What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one?
The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one is C#CCN1C(=O)CN=C(c2ccccc2Cl)c2nc(Cl)ccc21.
What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one?
The InChIKey is NQLFIUAMBLCLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O/c1-2-9-22-13-7-8-14(19)21-17(13)16(20-10-15(22)23)11-5-3-4-6-12(11)18/h1,3-8H,9-10H2.
What are the key properties of 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one?
7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one has a molecular weight of 344.20 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one is sourced from PubChem (CID 110181149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).