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

C14H15NO3 — CID 82244120

IUPAC1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid
SMILESCC(C)c1cccc2c(=O)cc(C(=O)O)n(C)c12
InChIInChI=1S/C14H15NO3/c1-8(2)9-5-4-6-10-12(16)7-11(14(17)18)15(3)13(9)10/h4-8H,1-3H3,(H,17,18)
InChIKeyYDMLNDCTNSNDAX-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.36
Rot. Bonds2

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

1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid (PubChem CID 82244120) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid
PubChem CID82244120
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid
SMILESCC(C)c1cccc2c(=O)cc(C(=O)O)n(C)c12
InChIInChI=1S/C14H15NO3/c1-8(2)9-5-4-6-10-12(16)7-11(14(17)18)15(3)13(9)10/h4-8H,1-3H3,(H,17,18)
InChIKeyYDMLNDCTNSNDAX-UHFFFAOYSA-N
XLogP2.36
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-oxo-[1]benzothiolo[3,2-b]pyridine-2-carboxylic acid
CID 10825168
1-butan-2-yl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246537
1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid
CID 82248172
5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 115007397
1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246534
1-butan-2-yl-4-oxoquinoline-2-carboxylic acid
CID 82244126
1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid
CID 43671705
1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
CID 82251488
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
7-propan-2-yl-1-(pyrimidin-2-ylmethyl)indole-2-carboxylic acid
CID 159080426

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid?
The IUPAC name of 1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid (CID 82244120) is 1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid is CC(C)c1cccc2c(=O)cc(C(=O)O)n(C)c12.
What is the InChIKey of 1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid?
The InChIKey is YDMLNDCTNSNDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8(2)9-5-4-6-10-12(16)7-11(14(17)18)15(3)13(9)10/h4-8H,1-3H3,(H,17,18).
What are the key properties of 1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid?
1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid is sourced from PubChem (CID 82244120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).