[(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate

C15H17NO3 — CID 26870444

IUPAC[(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
SMILESCC[C@H](C)OC(=O)c1cc(=O)[nH]c2ccc(C)cc12
InChIInChI=1S/C15H17NO3/c1-4-10(3)19-15(18)12-8-14(17)16-13-6-5-9(2)7-11(12)13/h5-8,10H,4H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyANBPCWCJARHFKM-JTQLQIEISA-N
MW259.31 g/mol
LogP2.79
Rot. Bonds3

About [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate

[(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 26870444) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
PubChem CID26870444
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name[(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
SMILESCC[C@H](C)OC(=O)c1cc(=O)[nH]c2ccc(C)cc12
InChIInChI=1S/C15H17NO3/c1-4-10(3)19-15(18)12-8-14(17)16-13-6-5-9(2)7-11(12)13/h5-8,10H,4H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyANBPCWCJARHFKM-JTQLQIEISA-N
XLogP2.79
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-bromophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 1217057
butan-2-yl 2-amino-3,5-dimethylbenzoate
CID 63112676
butan-2-yl 4-methylbenzoate;ethane
CID 157040400
methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate
CID 125474812
(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate
CID 3267890
4-iodo-6-methyl-1H-quinolin-2-one
CID 156809530
[1-(benzylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 17409936
(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
CID 16529843
4-butyl-6-methyl-1H-quinolin-2-one
CID 166443059
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
5-butan-2-yloxycarbonyl-2,4-dimethoxy-3-pentan-3-yloxybenzoic acid
CID 87960871
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate (CID 26870444) is [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate is CC[C@H](C)OC(=O)c1cc(=O)[nH]c2ccc(C)cc12.
What is the InChIKey of [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is ANBPCWCJARHFKM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-10(3)19-15(18)12-8-14(17)16-13-6-5-9(2)7-11(12)13/h5-8,10H,4H2,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
[(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 26870444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).