1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone

C17H18N2O2 — CID 80744116

IUPAC1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESNc1ccc2c(c1)N(C(=O)Cc1ccccc1O)CCC2
InChIInChI=1S/C17H18N2O2/c18-14-8-7-12-5-3-9-19(15(12)11-14)17(21)10-13-4-1-2-6-16(13)20/h1-2,4,6-8,11,20H,3,5,9-10,18H2
InChIKeyKEVGLIXOPFFAOU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.50
Rot. Bonds2

About 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone

1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone (PubChem CID 80744116) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
PubChem CID80744116
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESNc1ccc2c(c1)N(C(=O)Cc1ccccc1O)CCC2
InChIInChI=1S/C17H18N2O2/c18-14-8-7-12-5-3-9-19(15(12)11-14)17(21)10-13-4-1-2-6-16(13)20/h1-2,4,6-8,11,20H,3,5,9-10,18H2
InChIKeyKEVGLIXOPFFAOU-UHFFFAOYSA-N
XLogP2.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
CID 28707109
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
CID 55091829
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
CID 20773361
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
CID 62389016
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 62266720
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone
CID 62266196

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone (CID 80744116) is 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone is Nc1ccc2c(c1)N(C(=O)Cc1ccccc1O)CCC2.
What is the InChIKey of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone?
The InChIKey is KEVGLIXOPFFAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-14-8-7-12-5-3-9-19(15(12)11-14)17(21)10-13-4-1-2-6-16(13)20/h1-2,4,6-8,11,20H,3,5,9-10,18H2.
What are the key properties of 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone?
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone has a molecular weight of 282.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 80744116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).