2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one

C19H16N4O2 — CID 165414997

IUPAC2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one
SMILESCn1cc(-c2ccccc2)nc1COC1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C19H16N4O2/c1-23-11-16(13-7-3-2-4-8-13)20-17(23)12-25-19-21-15-10-6-5-9-14(15)18(24)22-19/h2-11,14H,12H2,1H3
InChIKeyUMEIGSGBFLVXFQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.68
Rot. Bonds3

About 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one

2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one (PubChem CID 165414997) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one
PubChem CID165414997
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one
SMILESCn1cc(-c2ccccc2)nc1COC1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C19H16N4O2/c1-23-11-16(13-7-3-2-4-8-13)20-17(23)12-25-19-21-15-10-6-5-9-14(15)18(24)22-19/h2-11,14H,12H2,1H3
InChIKeyUMEIGSGBFLVXFQ-UHFFFAOYSA-N
XLogP2.68
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one 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 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one?
The IUPAC name of 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one (CID 165414997) is 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one.
What is the SMILES notation for 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one?
The canonical SMILES for 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one is Cn1cc(-c2ccccc2)nc1COC1=NC(=O)C2C=CC=CC2=N1.
What is the InChIKey of 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one?
The InChIKey is UMEIGSGBFLVXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-11-16(13-7-3-2-4-8-13)20-17(23)12-25-19-21-15-10-6-5-9-14(15)18(24)22-19/h2-11,14H,12H2,1H3.
What are the key properties of 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one?
2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one has a molecular weight of 332.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4aH-quinazolin-4-one is sourced from PubChem (CID 165414997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).