5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid

C14H14ClNO3 — CID 82248933

IUPAC5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid
SMILESCc1ccc(Cl)c2c(=O)cc(C(=O)O)n(C(C)C)c12
InChIInChI=1S/C14H14ClNO3/c1-7(2)16-10(14(18)19)6-11(17)12-9(15)5-4-8(3)13(12)16/h4-7H,1-3H3,(H,18,19)
InChIKeyLAYVHZYPRHSWPA-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.24
Rot. Bonds2

About 5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid

5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid (PubChem CID 82248933) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid
PubChem CID82248933
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid
SMILESCc1ccc(Cl)c2c(=O)cc(C(=O)O)n(C(C)C)c12
InChIInChI=1S/C14H14ClNO3/c1-7(2)16-10(14(18)19)6-11(17)12-9(15)5-4-8(3)13(12)16/h4-7H,1-3H3,(H,18,19)
InChIKeyLAYVHZYPRHSWPA-UHFFFAOYSA-N
XLogP3.24
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82251202
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251962
7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid
CID 82250951
7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250962
8-chloro-5-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517698
7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
CID 170310951
2-chloro-5-methyl-1-propan-2-ylpyrrole-3-carboxylic acid
CID 178190492
5-(3-chloro-4-nitrophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 82866022
6-hydroxy-1-propan-2-ylindole-2-carboxylic acid
CID 83917476
2-(3-chloro-N,4-dimethylanilino)propanoic acid
CID 133150351
3-(3,4-dichlorophenyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 83559430

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid?
The IUPAC name of 5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid (CID 82248933) is 5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid.
What is the SMILES notation for 5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid?
The canonical SMILES for 5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid is Cc1ccc(Cl)c2c(=O)cc(C(=O)O)n(C(C)C)c12.
What is the InChIKey of 5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid?
The InChIKey is LAYVHZYPRHSWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-7(2)16-10(14(18)19)6-11(17)12-9(15)5-4-8(3)13(12)16/h4-7H,1-3H3,(H,18,19).
What are the key properties of 5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid?
5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid has a molecular weight of 279.72 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid is sourced from PubChem (CID 82248933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).