(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone

C16H13F3N2O — CID 28707202

IUPAC(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
SMILESNc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H13F3N2O/c17-12-5-4-11(14(18)15(12)19)16(22)21-7-1-2-9-8-10(20)3-6-13(9)21/h3-6,8H,1-2,7,20H2
InChIKeySYAGYOLMILUNJE-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.28
Rot. Bonds1

About (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 28707202) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
PubChem CID28707202
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
SMILESNc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H13F3N2O/c17-12-5-4-11(14(18)15(12)19)16(22)21-7-1-2-9-8-10(20)3-6-13(9)21/h3-6,8H,1-2,7,20H2
InChIKeySYAGYOLMILUNJE-UHFFFAOYSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107670570
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 114558361
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809490
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone
CID 81110443
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66462390
(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107986323
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80644164
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898
(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63109770
(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875817
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499

Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone (CID 28707202) is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone is Nc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is SYAGYOLMILUNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-12-5-4-11(14(18)15(12)19)16(22)21-7-1-2-9-8-10(20)3-6-13(9)21/h3-6,8H,1-2,7,20H2.
What are the key properties of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone?
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 306.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 28707202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).