4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C19H16ClN3O — CID 71255269

IUPAC4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCc1ccc2nc(N3CC(=O)Nc4ccccc4C3)cc(Cl)c2c1
InChIInChI=1S/C19H16ClN3O/c1-12-6-7-17-14(8-12)15(20)9-18(21-17)23-10-13-4-2-3-5-16(13)22-19(24)11-23/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyZIGDMVOCYZCTKD-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.16
Rot. Bonds1

About 4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 71255269) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID71255269
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCc1ccc2nc(N3CC(=O)Nc4ccccc4C3)cc(Cl)c2c1
InChIInChI=1S/C19H16ClN3O/c1-12-6-7-17-14(8-12)15(20)9-18(21-17)23-10-13-4-2-3-5-16(13)22-19(24)11-23/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyZIGDMVOCYZCTKD-UHFFFAOYSA-N
XLogP4.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 71255269) is 4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is Cc1ccc2nc(N3CC(=O)Nc4ccccc4C3)cc(Cl)c2c1.
What is the InChIKey of 4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is ZIGDMVOCYZCTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-12-6-7-17-14(8-12)15(20)9-18(21-17)23-10-13-4-2-3-5-16(13)22-19(24)11-23/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 337.81 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-methylquinolin-2-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 71255269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).