methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate

C11H8ClNO3 — CID 24813935

IUPACmethyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)cc[nH]c2c1Cl
InChIInChI=1S/C11H8ClNO3/c1-16-11(15)7-3-2-6-8(14)4-5-13-10(6)9(7)12/h2-5H,1H3,(H,13,14)
InChIKeyUERUOGNUVCRUFR-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.97
Rot. Bonds1

About methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate

methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate (PubChem CID 24813935) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate
PubChem CID24813935
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Namemethyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)cc[nH]c2c1Cl
InChIInChI=1S/C11H8ClNO3/c1-16-11(15)7-3-2-6-8(14)4-5-13-10(6)9(7)12/h2-5H,1H3,(H,13,14)
InChIKeyUERUOGNUVCRUFR-UHFFFAOYSA-N
XLogP1.97
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-chloro-3-iodo-1H-indole-6-carboxylate
CID 178117236
methyl 7-methoxy-1H-indole-4-carboxylate
CID 11020003
10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824
dimethyl 1,4,5-trichloronaphthalene-2,6-dicarboxylate
CID 23265812
methyl 7-fluoro-1H-indole-6-carboxylate
CID 122705880
methyl 2,3-dichloro-4-iodobenzoate
CID 134104394
methyl 2-oxo-3-(2,3,6-trichlorophenyl)-1H-pyridine-4-carboxylate
CID 133092673
dimethyl 2-chloro-3-(trifluoromethylsulfonyloxy)benzene-1,4-dicarboxylate
CID 126601709
4-chloro-7-methoxy-1H-indole-5-carboxylic acid;methyl 4-chloro-7-methyl-1H-indole-5-carboxylate
CID 159871655
methyl 2-chloro-4-hydroxy-3-methylbenzoate
CID 11820124
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate?
The IUPAC name of methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate (CID 24813935) is methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate.
What is the SMILES notation for methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate?
The canonical SMILES for methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate is COC(=O)c1ccc2c(=O)cc[nH]c2c1Cl.
What is the InChIKey of methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate?
The InChIKey is UERUOGNUVCRUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-16-11(15)7-3-2-6-8(14)4-5-13-10(6)9(7)12/h2-5H,1H3,(H,13,14).
What are the key properties of methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate?
methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate has a molecular weight of 237.64 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate is sourced from PubChem (CID 24813935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).