benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate

C19H20N2O3 — CID 110781684

IUPACbenzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate
SMILESCN1C(=O)CCc2cc(CNC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O3/c1-21-17-9-7-15(11-16(17)8-10-18(21)22)12-20-19(23)24-13-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12-13H2,1H3,(H,20,23)
InChIKeyFASSSXFRFQTUSA-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.02
Rot. Bonds4

About benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate

benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate (PubChem CID 110781684) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate
PubChem CID110781684
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namebenzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate
SMILESCN1C(=O)CCc2cc(CNC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O3/c1-21-17-9-7-15(11-16(17)8-10-18(21)22)12-20-19(23)24-13-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12-13H2,1H3,(H,20,23)
InChIKeyFASSSXFRFQTUSA-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide
CID 110781697
3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide
CID 110781694
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate
CID 54242778
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 110788734
6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 82485649
N-cyclopentyl-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768543
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]furan-2-carboxamide
CID 110788700
1-cyclopentyl-3-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]urea
CID 110775819

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate (CID 110781684) is benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate is CN1C(=O)CCc2cc(CNC(=O)OCc3ccccc3)ccc21.
What is the InChIKey of benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate?
The InChIKey is FASSSXFRFQTUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21-17-9-7-15(11-16(17)8-10-18(21)22)12-20-19(23)24-13-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12-13H2,1H3,(H,20,23).
What are the key properties of benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate?
benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate is sourced from PubChem (CID 110781684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).