5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid

C14H14ClNO3 — CID 90379692

IUPAC5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(Cl)c(C)c(C)cc21
InChIInChI=1S/C14H14ClNO3/c1-4-16-6-9(14(18)19)13(17)11-10(16)5-7(2)8(3)12(11)15/h5-6H,4H2,1-3H3,(H,18,19)
InChIKeyKUYYGECQEWAMLU-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.99
Rot. Bonds2

About 5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid

5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 90379692) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid
PubChem CID90379692
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(Cl)c(C)c(C)cc21
InChIInChI=1S/C14H14ClNO3/c1-4-16-6-9(14(18)19)13(17)11-10(16)5-7(2)8(3)12(11)15/h5-6H,4H2,1-3H3,(H,18,19)
InChIKeyKUYYGECQEWAMLU-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 142486641
7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 70277764
6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 12944899
1,3-diethyl-6-methylindole-5-carboxylic acid
CID 83963376
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
5-amino-7-(2-bromoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 167360947
6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylic acid;ethyl 6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylate;methane;phosphane
CID 163541939
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 3045247
1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
1-ethyl-7-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-4-oxoquinoline-3-carboxylic acid
CID 71660714

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid (CID 90379692) is 5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c(Cl)c(C)c(C)cc21.
What is the InChIKey of 5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is KUYYGECQEWAMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-4-16-6-9(14(18)19)13(17)11-10(16)5-7(2)8(3)12(11)15/h5-6H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid?
5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 279.72 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 90379692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).