2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid

C15H16ClNO3 — CID 82251217

IUPAC2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid
SMILESCCC(C)n1c(CC(=O)O)cc(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H16ClNO3/c1-3-9(2)17-11(8-15(19)20)7-14(18)12-6-10(16)4-5-13(12)17/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyWRTPIITYJDXQGZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.25
Rot. Bonds4

About 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid

2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid (PubChem CID 82251217) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid
PubChem CID82251217
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid
SMILESCCC(C)n1c(CC(=O)O)cc(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H16ClNO3/c1-3-9(2)17-11(8-15(19)20)7-14(18)12-6-10(16)4-5-13(12)17/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyWRTPIITYJDXQGZ-UHFFFAOYSA-N
XLogP3.25
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid
CID 82250240
2-(5-chloro-1-propan-2-ylindol-2-yl)acetic acid
CID 117121626
2-(1-butan-2-yl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 43659654
1-butan-2-yl-4-oxoquinoline-2-carboxylic acid
CID 82244126
2-(1-acetyl-5-chloroindol-3-yl)acetic acid
CID 175397718
2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82247809
(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol
CID 51978429
6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82247120
[5-chloro-2-methyl-1-(1-methylsulfanylpropan-2-yl)indol-3-yl]-phenylmethanone
CID 70528138
1-butan-2-yl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246537
2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
CID 83860165
2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid
CID 82250952

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid?
The IUPAC name of 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid (CID 82251217) is 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid is CCC(C)n1c(CC(=O)O)cc(=O)c2cc(Cl)ccc21.
What is the InChIKey of 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid?
The InChIKey is WRTPIITYJDXQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-3-9(2)17-11(8-15(19)20)7-14(18)12-6-10(16)4-5-13(12)17/h4-7,9H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid?
2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid has a molecular weight of 293.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid is sourced from PubChem (CID 82251217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).