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

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Related Compounds

6-(3-methyl-4-oxophthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472754
6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 56641613
6-[5-(3-chlorophenyl)-2H-triazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 10215193
6-(4-oxo-3-phenylphthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472682
6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 86093145
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 56641349
6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 10085761
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 30688281
6-(7-chloro-1H-pyrazolo[4,5-d]pyrimidin-5-yl)-4H-1,4-benzoxazin-3-one
CID 89306224
6-[(2R)-2-(4-methylquinolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one
CID 27261162
6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one
CID 39199500

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).