(3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C29H32N2O4 — CID 20822839

IUPAC(3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3C(N3CCCc4cc(C)ccc43)C(O)C2C)cc1OC
InChIInChI=1S/C29H32N2O4/c1-18-11-13-23-20(16-18)8-7-15-30(23)27-22-9-5-6-10-24(22)31(19(2)28(27)32)29(33)21-12-14-25(34-3)26(17-21)35-4/h5-6,9-14,16-17,19,27-28,32H,7-8,15H2,1-4H3
InChIKeyQQMBPMHUTABRLI-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.92
Rot. Bonds4

About (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 20822839) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID20822839
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name(3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3C(N3CCCc4cc(C)ccc43)C(O)C2C)cc1OC
InChIInChI=1S/C29H32N2O4/c1-18-11-13-23-20(16-18)8-7-15-30(23)27-22-9-5-6-10-24(22)31(19(2)28(27)32)29(33)21-12-14-25(34-3)26(17-21)35-4/h5-6,9-14,16-17,19,27-28,32H,7-8,15H2,1-4H3
InChIKeyQQMBPMHUTABRLI-UHFFFAOYSA-N
XLogP4.92
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

[4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 20822842
(3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 20822836
N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 22339259
(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24696393
[(2S,3S,4S)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
CID 15781462
(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 22339201
[(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 6545382
2-(4-acetyl-2-methoxyphenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26083759
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 20822839) is (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is COc1ccc(C(=O)N2c3ccccc3C(N3CCCc4cc(C)ccc43)C(O)C2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is QQMBPMHUTABRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-18-11-13-23-20(16-18)8-7-15-30(23)27-22-9-5-6-10-24(22)31(19(2)28(27)32)29(33)21-12-14-25(34-3)26(17-21)35-4/h5-6,9-14,16-17,19,27-28,32H,7-8,15H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 472.59 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 20822839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).