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

C16H13Cl2N3O2 — CID 110181173

IUPAC7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one
SMILESCOCN1C(=O)CN=C(c2ccccc2Cl)c2nc(Cl)ccc21
InChIInChI=1S/C16H13Cl2N3O2/c1-23-9-21-12-6-7-13(18)20-16(12)15(19-8-14(21)22)10-4-2-3-5-11(10)17/h2-7H,8-9H2,1H3
InChIKeyRSLDQHCQQIGXBN-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.18
Rot. Bonds3

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

7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one (PubChem CID 110181173) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one
PubChem CID110181173
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Name7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one
SMILESCOCN1C(=O)CN=C(c2ccccc2Cl)c2nc(Cl)ccc21
InChIInChI=1S/C16H13Cl2N3O2/c1-23-9-21-12-6-7-13(18)20-16(12)15(19-8-14(21)22)10-4-2-3-5-11(10)17/h2-7H,8-9H2,1H3
InChIKeyRSLDQHCQQIGXBN-UHFFFAOYSA-N
XLogP3.18
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.18
H-Bond Donors ≤ 50
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-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110181149
5-(2-chlorophenyl)-7-(dimethylamino)-1-prop-2-enyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110181032
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)-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)-3H-pyrido[3,2-e][1,4]diazepin-2-amine
CID 110181250
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)-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
[1-acetyl-7-chloro-5-(2-chlorophenyl)-2-oxo-3H-pyrido[3,2-e][1,4]diazepin-3-yl] acetate
CID 110180622
2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 3712160
7-chloro-1-(2-hydroxy-3-methoxypropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 172750208

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one?
The IUPAC name of 7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one (CID 110181173) is 7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one.
What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one?
The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one is COCN1C(=O)CN=C(c2ccccc2Cl)c2nc(Cl)ccc21.
What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one?
The InChIKey is RSLDQHCQQIGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-23-9-21-12-6-7-13(18)20-16(12)15(19-8-14(21)22)10-4-2-3-5-11(10)17/h2-7H,8-9H2,1H3.
What are the key properties of 7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one?
7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one has a molecular weight of 350.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one is sourced from PubChem (CID 110181173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).