(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H18N2O2 — CID 60951513

IUPAC(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cccc2c1N(C(=O)c1ccc(N)cc1)CCC2
InChIInChI=1S/C17H18N2O2/c1-21-15-6-2-4-12-5-3-11-19(16(12)15)17(20)13-7-9-14(18)10-8-13/h2,4,6-10H,3,5,11,18H2,1H3
InChIKeyPXZDBEBFIVBKOX-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.87
Rot. Bonds2

About (4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 60951513) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID60951513
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cccc2c1N(C(=O)c1ccc(N)cc1)CCC2
InChIInChI=1S/C17H18N2O2/c1-21-15-6-2-4-12-5-3-11-19(16(12)15)17(20)13-7-9-14(18)10-8-13/h2,4,6-10H,3,5,11,18H2,1H3
InChIKeyPXZDBEBFIVBKOX-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.87
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

(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
(1-aminocyclopropyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65466415
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 60951388
(1-aminocyclohexyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951658
3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 54876637
(2-chlorofuran-3-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106686458
3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 112832703
2-(1-aminocyclopentyl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64677547
3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 60958471

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 60951513) is (4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1cccc2c1N(C(=O)c1ccc(N)cc1)CCC2.
What is the InChIKey of (4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is PXZDBEBFIVBKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-15-6-2-4-12-5-3-11-19(16(12)15)17(20)13-7-9-14(18)10-8-13/h2,4,6-10H,3,5,11,18H2,1H3.
What are the key properties of (4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 60951513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).