5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid

C15H14ClNO3 — CID 82250951

IUPAC5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C2CC2)c2c(C)ccc(Cl)c2c1=O
InChIInChI=1S/C15H14ClNO3/c1-7-3-6-10(16)11-12(7)17(9-4-5-9)13(15(19)20)8(2)14(11)18/h3,6,9H,4-5H2,1-2H3,(H,19,20)
InChIKeyHLEUAXMNYBFJFX-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.30
Rot. Bonds2

About 5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid

5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82250951) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82250951
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C2CC2)c2c(C)ccc(Cl)c2c1=O
InChIInChI=1S/C15H14ClNO3/c1-7-3-6-10(16)11-12(7)17(9-4-5-9)13(15(19)20)8(2)14(11)18/h3,6,9H,4-5H2,1-2H3,(H,19,20)
InChIKeyHLEUAXMNYBFJFX-UHFFFAOYSA-N
XLogP3.30
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid (CID 82250951) is 5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid is Cc1c(C(=O)O)n(C2CC2)c2c(C)ccc(Cl)c2c1=O.
What is the InChIKey of 5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is HLEUAXMNYBFJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-7-3-6-10(16)11-12(7)17(9-4-5-9)13(15(19)20)8(2)14(11)18/h3,6,9H,4-5H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid?
5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 291.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82250951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).