1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid

C13H13NO3 — CID 82242836

IUPAC1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCCn1c(C(=O)O)c(C)c(=O)c2ccccc21
InChIInChI=1S/C13H13NO3/c1-3-14-10-7-5-4-6-9(10)12(15)8(2)11(14)13(16)17/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyAPBCQDITDJJWCV-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.03
Rot. Bonds2

About 1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid

1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82242836) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82242836
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCCn1c(C(=O)O)c(C)c(=O)c2ccccc21
InChIInChI=1S/C13H13NO3/c1-3-14-10-7-5-4-6-9(10)12(15)8(2)11(14)13(16)17/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyAPBCQDITDJJWCV-UHFFFAOYSA-N
XLogP2.03
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82248606
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
1-ethyl-5-hydroxy-3-methylindole-2-carboxylic acid
CID 105473665
3-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 83969302
1-ethyl-3-[(3-phenylpropylamino)methyl]indole-2-carboxylic acid
CID 53207032
3-[2-(azepan-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 15999504
3-[2-(N,2-dimethylanilino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 22330767
9-ethylcarbazole-3-carboxylic acid
CID 4912869
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 6615586
2-[[2-[(1-ethyl-3-methylindole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 110497425
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid (CID 82242836) is 1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid is CCn1c(C(=O)O)c(C)c(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is APBCQDITDJJWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-14-10-7-5-4-6-9(10)12(15)8(2)11(14)13(16)17/h4-7H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid?
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82242836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).