methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate

C16H18N2O3 — CID 141344725

IUPACmethyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(=O)c(N3CCC[C@@H]3C)cc2c1
InChIInChI=1S/C16H18N2O3/c1-10-4-3-7-18(10)14-9-12-8-11(16(20)21-2)5-6-13(12)17-15(14)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyLCOXWIMQADYOJI-JTQLQIEISA-N
MW286.33 g/mol
LogP2.30
Rot. Bonds2

About methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate

methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate (PubChem CID 141344725) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate
PubChem CID141344725
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(=O)c(N3CCC[C@@H]3C)cc2c1
InChIInChI=1S/C16H18N2O3/c1-10-4-3-7-18(10)14-9-12-8-11(16(20)21-2)5-6-13(12)17-15(14)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyLCOXWIMQADYOJI-JTQLQIEISA-N
XLogP2.30
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-methyl-1H-indol-5-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylate
CID 141448007
methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate
CID 141340602
methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
methyl 3-(2-methylpiperidin-1-yl)-2-(trifluoromethylsulfonyloxy)quinoline-6-carboxylate
CID 141344451
deuterioethane;methyl 1-benzyl-3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoquinoxaline-6-carboxylate;methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoxaline-6-carboxylate;trichloroalumane
CID 160520796
methyl 3-(2-methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041735
methyl 4-amino-3-(4-methylpiperidin-1-yl)benzoate
CID 82790891
methyl 2-cyano-1H-indole-5-carboxylate
CID 129095297
methyl 3-[(2S)-2-methylpyrrolidine-1-carbonyl]benzoate
CID 138479596
methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate
CID 86068017
methyl 2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135976918
methyl 4-amino-3-[2-(methylcarbamoyl)piperidin-1-yl]benzoate
CID 82776524

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate (CID 141344725) is methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate is COC(=O)c1ccc2[nH]c(=O)c(N3CCC[C@@H]3C)cc2c1.
What is the InChIKey of methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate?
The InChIKey is LCOXWIMQADYOJI-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-4-3-7-18(10)14-9-12-8-11(16(20)21-2)5-6-13(12)17-15(14)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate?
methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 141344725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).