(5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone

C29H29N3O6 — CID 86268206

IUPAC(5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone
SMILESCOc1cc2c(c(OC)c1)CCN(C(=O)c1nc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc13)C2
InChIInChI=1S/C29H29N3O6/c1-34-19-12-18-16-32(11-10-20(18)23(15-19)35-2)29(33)26-21-8-6-7-9-22(21)30-28(31-26)17-13-24(36-3)27(38-5)25(14-17)37-4/h6-9,12-15H,10-11,16H2,1-5H3
InChIKeyNPQUXXJJTCUILT-UHFFFAOYSA-N
MW515.57 g/mol
LogP4.54
Rot. Bonds7

About (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone

(5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone (PubChem CID 86268206) has the molecular formula C29H29N3O6 and a molecular weight of 515.57 g/mol. Its IUPAC name is (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone
PubChem CID86268206
Molecular FormulaC29H29N3O6
Molecular Weight515.57 g/mol
Exact Mass515.21
IUPAC Name(5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone
SMILESCOc1cc2c(c(OC)c1)CCN(C(=O)c1nc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc13)C2
InChIInChI=1S/C29H29N3O6/c1-34-19-12-18-16-32(11-10-20(18)23(15-19)35-2)29(33)26-21-8-6-7-9-22(21)30-28(31-26)17-13-24(36-3)27(38-5)25(14-17)37-4/h6-9,12-15H,10-11,16H2,1-5H3
InChIKeyNPQUXXJJTCUILT-UHFFFAOYSA-N
XLogP4.54
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86268209
(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(4-fluorophenyl)quinazolin-4-yl]methanone
CID 90410954
[2-(4-fluorophenyl)quinazolin-4-yl]-(5-hydroxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86268812
2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 67327308
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 155805514
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylnaphthalen-2-yl)methanone
CID 175966427
4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 90435743
azepan-1-yl-(2-phenylquinazolin-4-yl)methanone
CID 13336375
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649173
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylphthalazin-1-one
CID 2457710

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone?
The IUPAC name of (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone (CID 86268206) is (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone.
What is the SMILES notation for (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone?
The canonical SMILES for (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone is COc1cc2c(c(OC)c1)CCN(C(=O)c1nc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc13)C2.
What is the InChIKey of (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone?
The InChIKey is NPQUXXJJTCUILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O6/c1-34-19-12-18-16-32(11-10-20(18)23(15-19)35-2)29(33)26-21-8-6-7-9-22(21)30-28(31-26)17-13-24(36-3)27(38-5)25(14-17)37-4/h6-9,12-15H,10-11,16H2,1-5H3.
What are the key properties of (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone?
(5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone has a molecular weight of 515.57 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]methanone is sourced from PubChem (CID 86268206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).