methyl (2S)-2-butyl-2H-quinoline-1-carboxylate

C15H19NO2 — CID 102208485

IUPACmethyl (2S)-2-butyl-2H-quinoline-1-carboxylate
SMILESCCCC[C@H]1C=Cc2ccccc2N1C(=O)OC
InChIInChI=1S/C15H19NO2/c1-3-4-8-13-11-10-12-7-5-6-9-14(12)16(13)15(17)18-2/h5-7,9-11,13H,3-4,8H2,1-2H3/t13-/m0/s1
InChIKeyUKMCOXYCXINLMS-ZDUSSCGKSA-N
MW245.32 g/mol
LogP3.85
Rot. Bonds3

About methyl (2S)-2-butyl-2H-quinoline-1-carboxylate

methyl (2S)-2-butyl-2H-quinoline-1-carboxylate (PubChem CID 102208485) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl (2S)-2-butyl-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-butyl-2H-quinoline-1-carboxylate
PubChem CID102208485
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl (2S)-2-butyl-2H-quinoline-1-carboxylate
SMILESCCCC[C@H]1C=Cc2ccccc2N1C(=O)OC
InChIInChI=1S/C15H19NO2/c1-3-4-8-13-11-10-12-7-5-6-9-14(12)16(13)15(17)18-2/h5-7,9-11,13H,3-4,8H2,1-2H3/t13-/m0/s1
InChIKeyUKMCOXYCXINLMS-ZDUSSCGKSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(1-methoxycarbonyl-2H-quinolin-2-yl)-3-methylbut-2-enoic acid
CID 11687850
ethyl 2-(3-oxopropyl)-2H-quinoline-1-carboxylate
CID 10777673
(2-butyl-2H-quinolin-1-yl)-trimethylsilane
CID 101095729
(2S)-2-[(2S)-1-methoxycarbonyl-2H-quinolin-2-yl]propanoic acid
CID 102476884
ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate
CID 11264981
ethyl 2-(3-diazo-4-methoxy-2,4-dioxobutyl)-2H-quinoline-1-carboxylate
CID 101445569
ethyl 2-hydroxy-2H-quinoline-1-carboxylate
CID 19849647
2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid
CID 11493461
methyl 4-(1-benzoyl-2H-quinolin-2-yl)-2-diazo-3-oxobutanoate
CID 101445565
dimethyl (3R,3aS,9aR)-3-butyl-2-oxo-3a,9a-dihydro-3H-furo[3,2-b]quinoxaline-4,9-dicarboxylate
CID 135019935
ethyl 2-(1-ethoxy-1,3-dioxobutan-2-yl)-2H-quinoline-1-carboxylate
CID 101357710
butyl 2H-quinoline-1-carboxylate
CID 68759380

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-butyl-2H-quinoline-1-carboxylate?
The IUPAC name of methyl (2S)-2-butyl-2H-quinoline-1-carboxylate (CID 102208485) is methyl (2S)-2-butyl-2H-quinoline-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-butyl-2H-quinoline-1-carboxylate?
The canonical SMILES for methyl (2S)-2-butyl-2H-quinoline-1-carboxylate is CCCC[C@H]1C=Cc2ccccc2N1C(=O)OC.
What is the InChIKey of methyl (2S)-2-butyl-2H-quinoline-1-carboxylate?
The InChIKey is UKMCOXYCXINLMS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-4-8-13-11-10-12-7-5-6-9-14(12)16(13)15(17)18-2/h5-7,9-11,13H,3-4,8H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-butyl-2H-quinoline-1-carboxylate?
methyl (2S)-2-butyl-2H-quinoline-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-butyl-2H-quinoline-1-carboxylate is sourced from PubChem (CID 102208485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).