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

C16H13Cl2N3O2 — CID 110180900

IUPAC7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
SMILESCOC1N=C(c2ccccc2Cl)c2nc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C16H13Cl2N3O2/c1-21-11-7-8-12(18)19-14(11)13(20-15(23-2)16(21)22)9-5-3-4-6-10(9)17/h3-8,15H,1-2H3
InChIKeyKCGDAMIELUZMIP-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.17
Rot. Bonds2

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

7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one (PubChem CID 110180900) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
PubChem CID110180900
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Name7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
SMILESCOC1N=C(c2ccccc2Cl)c2nc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C16H13Cl2N3O2/c1-21-11-7-8-12(18)19-14(11)13(20-15(23-2)16(21)22)9-5-3-4-6-10(9)17/h3-8,15H,1-2H3
InChIKeyKCGDAMIELUZMIP-UHFFFAOYSA-N
XLogP3.17
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one?
The IUPAC name of 7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one (CID 110180900) is 7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one.
What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one?
The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one is COC1N=C(c2ccccc2Cl)c2nc(Cl)ccc2N(C)C1=O.
What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one?
The InChIKey is KCGDAMIELUZMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-21-11-7-8-12(18)19-14(11)13(20-15(23-2)16(21)22)9-5-3-4-6-10(9)17/h3-8,15H,1-2H3.
What are the key properties of 7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one?
7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one has a molecular weight of 350.21 g/mol, XLogP of 3.17, 2 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)-3-methoxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one is sourced from PubChem (CID 110180900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).