methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate

C19H21N3O3 — CID 170512777

IUPACmethyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)CC2c1ccc(CCN)cc1
InChIInChI=1S/C19H21N3O3/c1-25-19(24)21-14-6-7-15-16(11-18(23)22-17(15)10-14)13-4-2-12(3-5-13)8-9-20/h2-7,10,16H,8-9,11,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyDOBULYMOPHIRBC-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.84
Rot. Bonds4

About methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate

methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate (PubChem CID 170512777) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
PubChem CID170512777
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namemethyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)CC2c1ccc(CCN)cc1
InChIInChI=1S/C19H21N3O3/c1-25-19(24)21-14-6-7-15-16(11-18(23)22-17(15)10-14)13-4-2-12(3-5-13)8-9-20/h2-7,10,16H,8-9,11,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyDOBULYMOPHIRBC-UHFFFAOYSA-N
XLogP2.84
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 169421884
ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95123061
methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95132831
N-[4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide
CID 169413733
2-methoxy-N-[(4S)-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 95127704
ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95128759
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951
methyl N-[4-(4-aminobutyl)phenyl]carbamate
CID 117318517
4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride
CID 171991735
(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 27518377
(4S)-N-(4-butylphenyl)-6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 9430047
methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
CID 95127709

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The IUPAC name of methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate (CID 170512777) is methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate.
What is the SMILES notation for methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The canonical SMILES for methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate is COC(=O)Nc1ccc2c(c1)NC(=O)CC2c1ccc(CCN)cc1.
What is the InChIKey of methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The InChIKey is DOBULYMOPHIRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-19(24)21-14-6-7-15-16(11-18(23)22-17(15)10-14)13-4-2-12(3-5-13)8-9-20/h2-7,10,16H,8-9,11,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate has a molecular weight of 339.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate is sourced from PubChem (CID 170512777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).