(7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate

C13H12ClNO3 — CID 609460

IUPAC(7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate
SMILESCC(=O)OCc1c(C)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C13H12ClNO3/c1-7-11(6-18-8(2)16)13(17)10-4-3-9(14)5-12(10)15-7/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyKMZVOJMQSPQBLK-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.55
Rot. Bonds2

About (7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate

(7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate (PubChem CID 609460) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is (7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate.

Molecular Properties

Compound Name(7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate
PubChem CID609460
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name(7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate
SMILESCC(=O)OCc1c(C)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C13H12ClNO3/c1-7-11(6-18-8(2)16)13(17)10-4-3-9(14)5-12(10)15-7/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyKMZVOJMQSPQBLK-UHFFFAOYSA-N
XLogP2.55
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
(3,6-dichloro-2-oxo-1H-quinolin-4-yl)methyl acetate
CID 121013645
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
2-[3-[(6-chloro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethyl acetate
CID 151980094
7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
CID 54689450
7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82243483
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
CID 115043325
3-(5-chloro-2-methylphenyl)propyl acetate
CID 18984733
2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278454
butyl 2-[(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)methyl]prop-2-enoate
CID 19027703
N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide
CID 110833712

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate?
The IUPAC name of (7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate (CID 609460) is (7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate.
What is the SMILES notation for (7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate?
The canonical SMILES for (7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate is CC(=O)OCc1c(C)[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of (7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate?
The InChIKey is KMZVOJMQSPQBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-7-11(6-18-8(2)16)13(17)10-4-3-9(14)5-12(10)15-7/h3-5H,6H2,1-2H3,(H,15,17).
What are the key properties of (7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate?
(7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate has a molecular weight of 265.70 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate is sourced from PubChem (CID 609460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).