8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid

C14H14ClNO3 — CID 82212983

IUPAC8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid
SMILESCC(C)Cn1c(=O)ccc2cc(C(=O)O)cc(Cl)c21
InChIInChI=1S/C14H14ClNO3/c1-8(2)7-16-12(17)4-3-9-5-10(14(18)19)6-11(15)13(9)16/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyVYLPWAUIYZNEMB-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.01
Rot. Bonds3

About 8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid

8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid (PubChem CID 82212983) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid
PubChem CID82212983
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid
SMILESCC(C)Cn1c(=O)ccc2cc(C(=O)O)cc(Cl)c21
InChIInChI=1S/C14H14ClNO3/c1-8(2)7-16-12(17)4-3-9-5-10(14(18)19)6-11(15)13(9)16/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyVYLPWAUIYZNEMB-UHFFFAOYSA-N
XLogP3.01
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid
CID 82212970
1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213063
1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid
CID 82213114
2-oxo-8-propan-2-yl-1-prop-2-enylquinoline-6-carboxylic acid
CID 82213115
1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213077
8-ethyl-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947438
8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid
CID 82213036
8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947467
2-(2-methylpropyl)isoindole-5-carboxylic acid
CID 82163612
3-chloro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 102669952
8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947439
8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid
CID 82213037

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid?
The IUPAC name of 8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid (CID 82212983) is 8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid.
What is the SMILES notation for 8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid?
The canonical SMILES for 8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid is CC(C)Cn1c(=O)ccc2cc(C(=O)O)cc(Cl)c21.
What is the InChIKey of 8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid?
The InChIKey is VYLPWAUIYZNEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-8(2)7-16-12(17)4-3-9-5-10(14(18)19)6-11(15)13(9)16/h3-6,8H,7H2,1-2H3,(H,18,19).
What are the key properties of 8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid?
8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid has a molecular weight of 279.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid is sourced from PubChem (CID 82212983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).