ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate

C17H22N2O3 — CID 95128759

IUPACethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2C1CCCC1
InChIInChI=1S/C17H22N2O3/c1-2-22-17(21)18-12-7-8-13-14(11-5-3-4-6-11)10-16(20)19-15(13)9-12/h7-9,11,14H,2-6,10H2,1H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyARELVUXKSWHGAI-CQSZACIVSA-N
MW302.37 g/mol
LogP3.87
Rot. Bonds3

About ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate

ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate (PubChem CID 95128759) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
PubChem CID95128759
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2C1CCCC1
InChIInChI=1S/C17H22N2O3/c1-2-22-17(21)18-12-7-8-13-14(11-5-3-4-6-11)10-16(20)19-15(13)9-12/h7-9,11,14H,2-6,10H2,1H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyARELVUXKSWHGAI-CQSZACIVSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95123061
N-[(4S)-4-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxybenzamide
CID 95125652
methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 170512777
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]carbamate
CID 171344385
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]carbamate
CID 9225746
ethyl N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)carbamate
CID 40887756
ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate
CID 773651
ethyl 5-(methoxycarbonylamino)-17-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate
CID 157416552
ethyl 5-(methoxycarbonylamino)-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaene-14-carboxylate
CID 129101944
ethyl 5-(methoxycarbonylamino)-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate
CID 157416550

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The IUPAC name of ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate (CID 95128759) is ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate.
What is the SMILES notation for ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The canonical SMILES for ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate is CCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2C1CCCC1.
What is the InChIKey of ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The InChIKey is ARELVUXKSWHGAI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-22-17(21)18-12-7-8-13-14(11-5-3-4-6-11)10-16(20)19-15(13)9-12/h7-9,11,14H,2-6,10H2,1H3,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate has a molecular weight of 302.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate is sourced from PubChem (CID 95128759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).