3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid

C16H16ClNO3 — CID 82252563

IUPAC3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c(=O)c2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C16H16ClNO3/c1-9-11(7-8-14(19)20)16(21)12-3-2-4-13(17)15(12)18(9)10-5-6-10/h2-4,10H,5-8H2,1H3,(H,19,20)
InChIKeyGQUMVJRPYJMUKY-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.32
Rot. Bonds4

About 3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid

3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid (PubChem CID 82252563) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid
PubChem CID82252563
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c(=O)c2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C16H16ClNO3/c1-9-11(7-8-14(19)20)16(21)12-3-2-4-13(17)15(12)18(9)10-5-6-10/h2-4,10H,5-8H2,1H3,(H,19,20)
InChIKeyGQUMVJRPYJMUKY-UHFFFAOYSA-N
XLogP3.32
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82250422
3-(1-cyclopropyl-6,7,8-trifluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82240235
3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82252911
3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248609
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
3-(7-cyclopropyl-1,2-dimethylindol-3-yl)propanoic acid
CID 126583717
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008
3-(7-chloro-1-ethylindol-3-yl)propanoic acid
CID 117197744
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248917
3-(1-cycloheptyl-4,6-dimethyl-2-oxopyrimidin-5-yl)propanoic acid
CID 43346221
3-(1,2-dimethyl-7-methylsulfanylindol-3-yl)propanoic acid
CID 126584285

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The IUPAC name of 3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid (CID 82252563) is 3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The canonical SMILES for 3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid is Cc1c(CCC(=O)O)c(=O)c2cccc(Cl)c2n1C1CC1.
What is the InChIKey of 3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The InChIKey is GQUMVJRPYJMUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-9-11(7-8-14(19)20)16(21)12-3-2-4-13(17)15(12)18(9)10-5-6-10/h2-4,10H,5-8H2,1H3,(H,19,20).
What are the key properties of 3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid has a molecular weight of 305.76 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid is sourced from PubChem (CID 82252563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).