methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid

C13H16N2O3 — CID 115171257

IUPACmethyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
SMILESCN(CCc1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-15(13(17)18)7-6-9-2-4-11-10(8-9)3-5-12(16)14-11/h2,4,8H,3,5-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyQZHSEUGKSJNUSX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.72
Rot. Bonds3

About methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid

methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid (PubChem CID 115171257) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
PubChem CID115171257
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
SMILESCN(CCc1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-15(13(17)18)7-6-9-2-4-11-10(8-9)3-5-12(16)14-11/h2,4,8H,3,5-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyQZHSEUGKSJNUSX-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-methyl-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 115140170
2-hydroxy-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115139941
N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride
CID 115195045
6-[2-[1-aminopropan-2-yl(methyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 117040127
2-hydroxy-N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 115140167
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
(E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pent-2-enoic acid
CID 116865917
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
2-cyano-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115173172
N-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103130

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid?
The IUPAC name of methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid (CID 115171257) is methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid?
The canonical SMILES for methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid is CN(CCc1ccc2c(c1)CCC(=O)N2)C(=O)O.
What is the InChIKey of methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid?
The InChIKey is QZHSEUGKSJNUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(13(17)18)7-6-9-2-4-11-10(8-9)3-5-12(16)14-11/h2,4,8H,3,5-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid?
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid has a molecular weight of 248.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid is sourced from PubChem (CID 115171257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).