benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate

C18H20N2O2 — CID 110751410

IUPACbenzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
SMILESCN1CCC(NC(=O)OCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2O2/c1-20-12-11-16(15-9-5-6-10-17(15)20)19-18(21)22-13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H,19,21)
InChIKeyLPRPJQCXGAQLKN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.49
Rot. Bonds3

About benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate

benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate (PubChem CID 110751410) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
PubChem CID110751410
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namebenzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
SMILESCN1CCC(NC(=O)OCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2O2/c1-20-12-11-16(15-9-5-6-10-17(15)20)19-18(21)22-13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H,19,21)
InChIKeyLPRPJQCXGAQLKN-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-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 (4S)-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 163342101
1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110750894
benzyl N-(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]azepin-5-yl)carbamate
CID 122401327
N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
CID 110751361
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
2-(4-methoxyphenyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110751393
benzyl N-(1-cyano-2-methyl-3-oxodiazinan-4-yl)carbamate
CID 78099211
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 68918237
benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate
CID 67475571
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
tert-butyl (3S)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 11290557

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate?
The IUPAC name of benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate (CID 110751410) is benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate.
What is the SMILES notation for benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate?
The canonical SMILES for benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate is CN1CCC(NC(=O)OCc2ccccc2)c2ccccc21.
What is the InChIKey of benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate?
The InChIKey is LPRPJQCXGAQLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20-12-11-16(15-9-5-6-10-17(15)20)19-18(21)22-13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H,19,21).
What are the key properties of benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate?
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate has a molecular weight of 296.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate is sourced from PubChem (CID 110751410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).