3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one

C18H20N2O — CID 116603381

IUPAC3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
SMILESNc1cccc(CCC(=O)C2CCCc3cccnc32)c1
InChIInChI=1S/C18H20N2O/c19-15-7-1-4-13(12-15)9-10-17(21)16-8-2-5-14-6-3-11-20-18(14)16/h1,3-4,6-7,11-12,16H,2,5,8-10,19H2
InChIKeyFVTMCWFRDAMZPX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.29
Rot. Bonds4

About 3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one

3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one (PubChem CID 116603381) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
PubChem CID116603381
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
SMILESNc1cccc(CCC(=O)C2CCCc3cccnc32)c1
InChIInChI=1S/C18H20N2O/c19-15-7-1-4-13(12-15)9-10-17(21)16-8-2-5-14-6-3-11-20-18(14)16/h1,3-4,6-7,11-12,16H,2,5,8-10,19H2
InChIKeyFVTMCWFRDAMZPX-UHFFFAOYSA-N
XLogP3.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79746027
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79732531
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one
CID 105114181
2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745816
2-(3-fluorophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79731702

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
The IUPAC name of 3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one (CID 116603381) is 3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
The canonical SMILES for 3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one is Nc1cccc(CCC(=O)C2CCCc3cccnc32)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
The InChIKey is FVTMCWFRDAMZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-15-7-1-4-13(12-15)9-10-17(21)16-8-2-5-14-6-3-11-20-18(14)16/h1,3-4,6-7,11-12,16H,2,5,8-10,19H2.
What are the key properties of 3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one has a molecular weight of 280.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one is sourced from PubChem (CID 116603381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).