tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate

C17H24N2O3 — CID 123217499

IUPACtert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
SMILESCCN1C(=O)CCc2cc(NC(=O)OC(C)(C)C)c(C)cc21
InChIInChI=1S/C17H24N2O3/c1-6-19-14-9-11(2)13(10-12(14)7-8-15(19)20)18-16(21)22-17(3,4)5/h9-10H,6-8H2,1-5H3,(H,18,21)
InChIKeyQIFYNZHUFNHSAN-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.64
Rot. Bonds2

About tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate

tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate (PubChem CID 123217499) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
PubChem CID123217499
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
SMILESCCN1C(=O)CCc2cc(NC(=O)OC(C)(C)C)c(C)cc21
InChIInChI=1S/C17H24N2O3/c1-6-19-14-9-11(2)13(10-12(14)7-8-15(19)20)18-16(21)22-17(3,4)5/h9-10H,6-8H2,1-5H3,(H,18,21)
InChIKeyQIFYNZHUFNHSAN-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
diethyl 7-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]cinnoline-1,2-dicarboxylate
CID 146273914
tert-butyl N-[5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-2-methylphenyl]carbamate
CID 155906666
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
tert-butyl N-[3-(2,5-dioxopyrrolidin-1-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 142691439
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate
CID 117274629
2-bromo-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 127019234

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate?
The IUPAC name of tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate (CID 123217499) is tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate is CCN1C(=O)CCc2cc(NC(=O)OC(C)(C)C)c(C)cc21.
What is the InChIKey of tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate?
The InChIKey is QIFYNZHUFNHSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-6-19-14-9-11(2)13(10-12(14)7-8-15(19)20)18-16(21)22-17(3,4)5/h9-10H,6-8H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate?
tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate has a molecular weight of 304.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate is sourced from PubChem (CID 123217499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).