2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline

C29H24N2O3 — CID 134822509

IUPAC2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline
SMILESCOc1cc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2C)cc2c1OCO2
InChIInChI=1S/C29H24N2O3/c1-31-24-16-10-9-15-23(24)29(21-11-5-3-6-12-21,22-13-7-4-8-14-22)30-28(31)20-17-25(32-2)27-26(18-20)33-19-34-27/h3-18H,19H2,1-2H3
InChIKeyNFKNREUTTHZCQQ-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.61
Rot. Bonds4

About 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline

2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline (PubChem CID 134822509) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline.

Molecular Properties

Compound Name2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline
PubChem CID134822509
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline
SMILESCOc1cc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2C)cc2c1OCO2
InChIInChI=1S/C29H24N2O3/c1-31-24-16-10-9-15-23(24)29(21-11-5-3-6-12-21,22-13-7-4-8-14-22)30-28(31)20-17-25(32-2)27-26(18-20)33-19-34-27/h3-18H,19H2,1-2H3
InChIKeyNFKNREUTTHZCQQ-UHFFFAOYSA-N
XLogP5.61
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline 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

2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 146024410
2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
CID 86059964
1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole
CID 138384537
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
1-[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 31054643
2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]aniline
CID 59430123
O-[4-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-2-ium-4-yl]phenyl]hydroxylamine
CID 147004068
[2-[2-amino-4-[3-(1,3-benzodioxol-5-yl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] 2,2,2-trifluoroacetate
CID 140539043
methyl 2-(2-chlorophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate
CID 12017868
2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
CID 56872081
2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-3-yl]benzenethiol
CID 90824771
2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)pyridazin-4-yl]phenol
CID 172676318

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline?
The IUPAC name of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline (CID 134822509) is 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline.
What is the SMILES notation for 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline?
The canonical SMILES for 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline is COc1cc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2C)cc2c1OCO2.
What is the InChIKey of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline?
The InChIKey is NFKNREUTTHZCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c1-31-24-16-10-9-15-23(24)29(21-11-5-3-6-12-21,22-13-7-4-8-14-22)30-28(31)20-17-25(32-2)27-26(18-20)33-19-34-27/h3-18H,19H2,1-2H3.
What are the key properties of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline?
2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline has a molecular weight of 448.52 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline is sourced from PubChem (CID 134822509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).