6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride

C18H14Cl2N2O2 — CID 42918979

IUPAC6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride
SMILESCc1c(Cl)c(-c2ccc3c(c2)NC(=O)CO3)nc2ccccc12.Cl
InChIInChI=1S/C18H13ClN2O2.ClH/c1-10-12-4-2-3-5-13(12)21-18(17(10)19)11-6-7-15-14(8-11)20-16(22)9-23-15;/h2-8H,9H2,1H3,(H,20,22);1H
InChIKeyGDUPRDIFLKJQCN-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.62
Rot. Bonds1

About 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride

6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride (PubChem CID 42918979) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride
PubChem CID42918979
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride
SMILESCc1c(Cl)c(-c2ccc3c(c2)NC(=O)CO3)nc2ccccc12.Cl
InChIInChI=1S/C18H13ClN2O2.ClH/c1-10-12-4-2-3-5-13(12)21-18(17(10)19)11-6-7-15-14(8-11)20-16(22)9-23-15;/h2-8H,9H2,1H3,(H,20,22);1H
InChIKeyGDUPRDIFLKJQCN-UHFFFAOYSA-N
XLogP4.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride?
The IUPAC name of 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride (CID 42918979) is 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride.
What is the SMILES notation for 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride?
The canonical SMILES for 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride is Cc1c(Cl)c(-c2ccc3c(c2)NC(=O)CO3)nc2ccccc12.Cl.
What is the InChIKey of 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride?
The InChIKey is GDUPRDIFLKJQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2.ClH/c1-10-12-4-2-3-5-13(12)21-18(17(10)19)11-6-7-15-14(8-11)20-16(22)9-23-15;/h2-8H,9H2,1H3,(H,20,22);1H.
What are the key properties of 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride?
6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride has a molecular weight of 361.23 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride is sourced from PubChem (CID 42918979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).