benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate

C20H22N2O3 — CID 54242778

IUPACbenzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate
SMILESCC(C)N1C(=O)CCc2cc(NC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C20H22N2O3/c1-14(2)22-18-10-9-17(12-16(18)8-11-19(22)23)21-20(24)25-13-15-6-4-3-5-7-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,21,24)
InChIKeyQREGRGXDPHWRDD-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.12
Rot. Bonds4

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

benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate (PubChem CID 54242778) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate
PubChem CID54242778
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namebenzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate
SMILESCC(C)N1C(=O)CCc2cc(NC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C20H22N2O3/c1-14(2)22-18-10-9-17(12-16(18)8-11-19(22)23)21-20(24)25-13-15-6-4-3-5-7-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,21,24)
InChIKeyQREGRGXDPHWRDD-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135144208
benzyl N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]carbamate
CID 42801680
benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate
CID 110781684
benzyl N-(3,4-dihydro-1H-isochromen-6-yl)carbamate
CID 86594253
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
benzyl N-[(1S,2R)-2-bromo-1-(2,5-dioxopyrrolidin-1-yl)butyl]carbamate
CID 135025990
phenyl N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
CID 27639376
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926847
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea
CID 170748322
benzyl N-(3-formyl-4-methylphenyl)carbamate
CID 123875597
benzyl N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]carbamate
CID 67225663

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate?
The IUPAC name of benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate (CID 54242778) is benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate.
What is the SMILES notation for benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate?
The canonical SMILES for benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate is CC(C)N1C(=O)CCc2cc(NC(=O)OCc3ccccc3)ccc21.
What is the InChIKey of benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate?
The InChIKey is QREGRGXDPHWRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(2)22-18-10-9-17(12-16(18)8-11-19(22)23)21-20(24)25-13-15-6-4-3-5-7-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,21,24).
What are the key properties of benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate?
benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate has a molecular weight of 338.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate is sourced from PubChem (CID 54242778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).