1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one

C25H25NO3 — CID 110637106

IUPAC1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one
SMILESCOc1ccc2c(c1)N(C(=O)CC(c1ccccc1)c1ccccc1)CCC2O
InChIInChI=1S/C25H25NO3/c1-29-20-12-13-21-23(16-20)26(15-14-24(21)27)25(28)17-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22,24,27H,14-15,17H2,1H3
InChIKeyNXOCMROQJICBLP-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.69
Rot. Bonds5

About 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one

1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one (PubChem CID 110637106) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one
PubChem CID110637106
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one
SMILESCOc1ccc2c(c1)N(C(=O)CC(c1ccccc1)c1ccccc1)CCC2O
InChIInChI=1S/C25H25NO3/c1-29-20-12-13-21-23(16-20)26(15-14-24(21)27)25(28)17-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22,24,27H,14-15,17H2,1H3
InChIKeyNXOCMROQJICBLP-UHFFFAOYSA-N
XLogP4.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one with MolForge

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Related Compounds

(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 110637097
cyclobutyl-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637163
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110709443
4-hydroxy-7-methoxy-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110637157
1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
CID 110636690
(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637100
(2,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637145
4-hydroxy-6-methoxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636695
(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636672
7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83764036
2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636703
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 45248772

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one (CID 110637106) is 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one is COc1ccc2c(c1)N(C(=O)CC(c1ccccc1)c1ccccc1)CCC2O.
What is the InChIKey of 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one?
The InChIKey is NXOCMROQJICBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-29-20-12-13-21-23(16-20)26(15-14-24(21)27)25(28)17-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22,24,27H,14-15,17H2,1H3.
What are the key properties of 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one?
1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one has a molecular weight of 387.48 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one is sourced from PubChem (CID 110637106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).