methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

C17H21N3O3 — CID 123261523

IUPACmethyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCCC1C1=Nc2ccccc2CC1
InChIInChI=1S/C17H21N3O3/c1-23-17(22)18-11-16(21)20-10-4-7-15(20)14-9-8-12-5-2-3-6-13(12)19-14/h2-3,5-6,15H,4,7-11H2,1H3,(H,18,22)
InChIKeyRBBXPNNGRBIZRY-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.05
Rot. Bonds3

About methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 123261523) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID123261523
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCCC1C1=Nc2ccccc2CC1
InChIInChI=1S/C17H21N3O3/c1-23-17(22)18-11-16(21)20-10-4-7-15(20)14-9-8-12-5-2-3-6-13(12)19-14/h2-3,5-6,15H,4,7-11H2,1H3,(H,18,22)
InChIKeyRBBXPNNGRBIZRY-UHFFFAOYSA-N
XLogP2.05
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate
CID 58433082
Tert-butyl 2-(3-methyl-3,4-dihydroquinolin-2-yl)imidazolidine-1-carboxylate
CID 53940083
ethyl N-[(1R,16S)-9-azatetracyclo[8.6.1.03,8.013,17]heptadeca-3,5,7,9,11,13-hexaen-16-yl]carbamate
CID 57098938
methyl N-[(2S)-1-[(2S)-2-(5-azido-3H-indol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58348453
methyl N-[(2S)-1-[(2S)-2-(5-ethynyl-3H-indol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58348705
methyl N-[(2S)-1-[(2S)-2-(5-iodo-3H-indol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58348717
tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]propan-2-yl]carbamate
CID 58433053
2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone
CID 58433058
tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate
CID 58433062
tert-butyl N-[1-oxo-1-[2-(4-phenyl-3H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]propan-2-yl]carbamate
CID 58433065
tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]carbamate
CID 58433066
tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate
CID 58433069

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 123261523) is methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CCCC1C1=Nc2ccccc2CC1.
What is the InChIKey of methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is RBBXPNNGRBIZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-17(22)18-11-16(21)20-10-4-7-15(20)14-9-8-12-5-2-3-6-13(12)19-14/h2-3,5-6,15H,4,7-11H2,1H3,(H,18,22).
What are the key properties of methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 315.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(3,4-dihydroquinolin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 123261523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).