(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C16H16N2O — CID 2984117

IUPAC(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C16H16N2O/c17-14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11,17H2
InChIKeyKZYCNMIZJOEZLC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.86
Rot. Bonds1

About (4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 2984117) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID2984117
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C16H16N2O/c17-14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11,17H2
InChIKeyKZYCNMIZJOEZLC-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
(3-amino-4-isocyanophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 58794290
3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607806
3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1-benzazocin-6-one
CID 19608125
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(4-pyrrol-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10591515
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762715
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 2984117) is (4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Nc1ccc(C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of (4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KZYCNMIZJOEZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11,17H2.
What are the key properties of (4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 2984117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).