3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one

C21H20N4O2 — CID 648284

IUPAC3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CCCn2ccnc2)cc1
InChIInChI=1S/C21H20N4O2/c1-27-17-9-7-16(8-10-17)20-23-19-6-3-2-5-18(19)21(26)25(20)13-4-12-24-14-11-22-15-24/h2-3,5-11,14-15H,4,12-13H2,1H3
InChIKeyKSURVSRNDFRWGM-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.36
Rot. Bonds6

About 3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one

3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 648284) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one
PubChem CID648284
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CCCn2ccnc2)cc1
InChIInChI=1S/C21H20N4O2/c1-27-17-9-7-16(8-10-17)20-23-19-6-3-2-5-18(19)21(26)25(20)13-4-12-24-14-11-22-15-24/h2-3,5-11,14-15H,4,12-13H2,1H3
InChIKeyKSURVSRNDFRWGM-UHFFFAOYSA-N
XLogP3.36
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one (CID 648284) is 3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2CCCn2ccnc2)cc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is KSURVSRNDFRWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-27-17-9-7-16(8-10-17)20-23-19-6-3-2-5-18(19)21(26)25(20)13-4-12-24-14-11-22-15-24/h2-3,5-11,14-15H,4,12-13H2,1H3.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one?
3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 360.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 648284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).