benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

C24H28N2O3 — CID 129081153

IUPACbenzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccccc2[C@H](NC(=O)OCc2ccccc2)[C@@H](C)C1C1CCC1
InChIInChI=1S/C24H28N2O3/c1-16-22(25-24(28)29-15-18-9-4-3-5-10-18)20-13-6-7-14-21(20)26(17(2)27)23(16)19-11-8-12-19/h3-7,9-10,13-14,16,19,22-23H,8,11-12,15H2,1-2H3,(H,25,28)/t16-,22-,23?/m1/s1
InChIKeyKYAOQEPVCCHQSF-SOJKGPRNSA-N
MW392.50 g/mol
LogP4.83
Rot. Bonds4

About benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 129081153) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID129081153
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Namebenzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccccc2[C@H](NC(=O)OCc2ccccc2)[C@@H](C)C1C1CCC1
InChIInChI=1S/C24H28N2O3/c1-16-22(25-24(28)29-15-18-9-4-3-5-10-18)20-13-6-7-14-21(20)26(17(2)27)23(16)19-11-8-12-19/h3-7,9-10,13-14,16,19,22-23H,8,11-12,15H2,1-2H3,(H,25,28)/t16-,22-,23?/m1/s1
InChIKeyKYAOQEPVCCHQSF-SOJKGPRNSA-N
XLogP4.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

4-[(2S,3R)-1-acetyl-2-cyclopropyl-3-methyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 129081167
benzyl N-[(2S,3R,4R)-1-acetyl-2-cyclopropyl-7-methoxy-3-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]carbamate
CID 118673223
benzyl N-[(3R,4R)-1-acetyl-6-bromo-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-4-yl]carbamate
CID 130202647
benzyl N-[(2S,3R,4R)-1-acetyl-3-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 118673157
benzyl N-[(2S,3R,4R)-6-cyano-2-cyclopropyl-3-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 90434801
ethyl (3R)-1-acetyl-2-ethyl-3-methyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 129081309
ethyl (2S,3R)-1-acetyl-2-ethyl-3-methyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 130199802
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 110751410
1-[(2S,3R)-2-cyclopropyl-4-(4-fluoroanilino)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 129081475
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
2-[[(2S,3R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzonitrile
CID 129081432

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 129081153) is benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccccc2[C@H](NC(=O)OCc2ccccc2)[C@@H](C)C1C1CCC1.
What is the InChIKey of benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is KYAOQEPVCCHQSF-SOJKGPRNSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-22(25-24(28)29-15-18-9-4-3-5-10-18)20-13-6-7-14-21(20)26(17(2)27)23(16)19-11-8-12-19/h3-7,9-10,13-14,16,19,22-23H,8,11-12,15H2,1-2H3,(H,25,28)/t16-,22-,23?/m1/s1.
What are the key properties of benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 392.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 129081153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).