(3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C29H32N2O3 — CID 20822836

IUPAC(3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3C(N3CCCc4ccc(C)cc43)CC2C)cc1OC
InChIInChI=1S/C29H32N2O3/c1-19-11-12-21-8-7-15-30(25(21)16-19)26-17-20(2)31(24-10-6-5-9-23(24)26)29(32)22-13-14-27(33-3)28(18-22)34-4/h5-6,9-14,16,18,20,26H,7-8,15,17H2,1-4H3
InChIKeyBVBHABGJBVZDMD-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.95
Rot. Bonds4

About (3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 20822836) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID20822836
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name(3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3C(N3CCCc4ccc(C)cc43)CC2C)cc1OC
InChIInChI=1S/C29H32N2O3/c1-19-11-12-21-8-7-15-30(25(21)16-19)26-17-20(2)31(24-10-6-5-9-23(24)26)29(32)22-13-14-27(33-3)28(18-22)34-4/h5-6,9-14,16,18,20,26H,7-8,15,17H2,1-4H3
InChIKeyBVBHABGJBVZDMD-UHFFFAOYSA-N
XLogP5.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

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
(3,4-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
[4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 20822842
(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 22339201
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
1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one
CID 139623169
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114765
[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114767
(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)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (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) is (3,4-dimethoxyphenyl)-[2-methyl-4-(7-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)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is COc1ccc(C(=O)N2c3ccccc3C(N3CCCc4ccc(C)cc43)CC2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is BVBHABGJBVZDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-19-11-12-21-8-7-15-30(25(21)16-19)26-17-20(2)31(24-10-6-5-9-23(24)26)29(32)22-13-14-27(33-3)28(18-22)34-4/h5-6,9-14,16,18,20,26H,7-8,15,17H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 456.59 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 20822836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).