6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol

C41H44N6O6 — CID 69454426

IUPAC6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol
SMILESCOCc1ccc2c(c1)CCN(c1ncnc3cc(OC)c(OC)cc13)C2.COc1cc2ncnc(N3CCc4cc(CO)ccc4C3)c2cc1OC
InChIInChI=1S/C21H23N3O3.C20H21N3O3/c1-25-12-14-4-5-16-11-24(7-6-15(16)8-14)21-17-9-19(26-2)20(27-3)10-18(17)22-13-23-21;1-25-18-8-16-17(9-19(18)26-2)21-12-22-20(16)23-6-5-14-7-13(11-24)3-4-15(14)10-23/h4-5,8-10,13H,6-7,11-12H2,1-3H3;3-4,7-9,12,24H,5-6,10-11H2,1-2H3
InChIKeyCPCMGDNTIGQADB-UHFFFAOYSA-N
MW716.84 g/mol
LogP6.06
Rot. Bonds9

About 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol

6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol (PubChem CID 69454426) has the molecular formula C41H44N6O6 and a molecular weight of 716.84 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol.

Molecular Properties

Compound Name6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol
PubChem CID69454426
Molecular FormulaC41H44N6O6
Molecular Weight716.84 g/mol
Exact Mass716.33
IUPAC Name6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol
SMILESCOCc1ccc2c(c1)CCN(c1ncnc3cc(OC)c(OC)cc13)C2.COc1cc2ncnc(N3CCc4cc(CO)ccc4C3)c2cc1OC
InChIInChI=1S/C21H23N3O3.C20H21N3O3/c1-25-12-14-4-5-16-11-24(7-6-15(16)8-14)21-17-9-19(26-2)20(27-3)10-18(17)22-13-23-21;1-25-18-8-16-17(9-19(18)26-2)21-12-22-20(16)23-6-5-14-7-13(11-24)3-4-15(14)10-23/h4-5,8-10,13H,6-7,11-12H2,1-3H3;3-4,7-9,12,24H,5-6,10-11H2,1-2H3
InChIKeyCPCMGDNTIGQADB-UHFFFAOYSA-N
XLogP6.06
TPSA124.42 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol?
The IUPAC name of 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol (CID 69454426) is 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol.
What is the SMILES notation for 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol?
The canonical SMILES for 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol is COCc1ccc2c(c1)CCN(c1ncnc3cc(OC)c(OC)cc13)C2.COc1cc2ncnc(N3CCc4cc(CO)ccc4C3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol?
The InChIKey is CPCMGDNTIGQADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3.C20H21N3O3/c1-25-12-14-4-5-16-11-24(7-6-15(16)8-14)21-17-9-19(26-2)20(27-3)10-18(17)22-13-23-21;1-25-18-8-16-17(9-19(18)26-2)21-12-22-20(16)23-6-5-14-7-13(11-24)3-4-15(14)10-23/h4-5,8-10,13H,6-7,11-12H2,1-3H3;3-4,7-9,12,24H,5-6,10-11H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol?
6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol has a molecular weight of 716.84 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol is sourced from PubChem (CID 69454426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).