4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline

C23H24N4O4 — CID 10669803

IUPAC4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline
SMILESCOc1ccc(-c2nc(Cn3ccnc3C)nc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C23H24N4O4/c1-14-24-8-9-27(14)13-22-25-17-12-21(31-5)20(30-4)11-16(17)23(26-22)15-6-7-18(28-2)19(10-15)29-3/h6-12H,13H2,1-5H3
InChIKeyFBVKEEVPXLTELG-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.88
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline

4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline (PubChem CID 10669803) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline
PubChem CID10669803
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline
SMILESCOc1ccc(-c2nc(Cn3ccnc3C)nc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C23H24N4O4/c1-14-24-8-9-27(14)13-22-25-17-12-21(31-5)20(30-4)11-16(17)23(26-22)15-6-7-18(28-2)19(10-15)29-3/h6-12H,13H2,1-5H3
InChIKeyFBVKEEVPXLTELG-UHFFFAOYSA-N
XLogP3.88
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline (CID 10669803) is 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline is COc1ccc(-c2nc(Cn3ccnc3C)nc3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline?
The InChIKey is FBVKEEVPXLTELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-24-8-9-27(14)13-22-25-17-12-21(31-5)20(30-4)11-16(17)23(26-22)15-6-7-18(28-2)19(10-15)29-3/h6-12H,13H2,1-5H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline?
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline has a molecular weight of 420.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline is sourced from PubChem (CID 10669803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).