2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid

C15H14ClNO3 — CID 82250952

IUPAC2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid
SMILESCc1cc(Cl)cc2c(=O)cc(CC(=O)O)n(C3CC3)c12
InChIInChI=1S/C15H14ClNO3/c1-8-4-9(16)5-12-13(18)6-11(7-14(19)20)17(15(8)12)10-2-3-10/h4-6,10H,2-3,7H2,1H3,(H,19,20)
InChIKeyXRLFYWAAHDMZBD-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.93
Rot. Bonds3

About 2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid

2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid (PubChem CID 82250952) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid
PubChem CID82250952
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid
SMILESCc1cc(Cl)cc2c(=O)cc(CC(=O)O)n(C3CC3)c12
InChIInChI=1S/C15H14ClNO3/c1-8-4-9(16)5-12-13(18)6-11(7-14(19)20)17(15(8)12)10-2-3-10/h4-6,10H,2-3,7H2,1H3,(H,19,20)
InChIKeyXRLFYWAAHDMZBD-UHFFFAOYSA-N
XLogP2.93
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid?
The IUPAC name of 2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid (CID 82250952) is 2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid is Cc1cc(Cl)cc2c(=O)cc(CC(=O)O)n(C3CC3)c12.
What is the InChIKey of 2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid?
The InChIKey is XRLFYWAAHDMZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-8-4-9(16)5-12-13(18)6-11(7-14(19)20)17(15(8)12)10-2-3-10/h4-6,10H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid?
2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid has a molecular weight of 291.73 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid is sourced from PubChem (CID 82250952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).