3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one

C23H24N4O — CID 21097005

IUPAC3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one
SMILESCc1nccn1C(c1nc2ccccc2c(=O)n1Cc1ccccc1)C(C)C
InChIInChI=1S/C23H24N4O/c1-16(2)21(26-14-13-24-17(26)3)22-25-20-12-8-7-11-19(20)23(28)27(22)15-18-9-5-4-6-10-18/h4-14,16,21H,15H2,1-3H3
InChIKeyQJTXBKWKRLNXNX-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.20
Rot. Bonds5

About 3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one

3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one (PubChem CID 21097005) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one
PubChem CID21097005
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one
SMILESCc1nccn1C(c1nc2ccccc2c(=O)n1Cc1ccccc1)C(C)C
InChIInChI=1S/C23H24N4O/c1-16(2)21(26-14-13-24-17(26)3)22-25-20-12-8-7-11-19(20)23(28)27(22)15-18-9-5-4-6-10-18/h4-14,16,21H,15H2,1-3H3
InChIKeyQJTXBKWKRLNXNX-UHFFFAOYSA-N
XLogP4.20
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one?
The IUPAC name of 3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one (CID 21097005) is 3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one is Cc1nccn1C(c1nc2ccccc2c(=O)n1Cc1ccccc1)C(C)C.
What is the InChIKey of 3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one?
The InChIKey is QJTXBKWKRLNXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16(2)21(26-14-13-24-17(26)3)22-25-20-12-8-7-11-19(20)23(28)27(22)15-18-9-5-4-6-10-18/h4-14,16,21H,15H2,1-3H3.
What are the key properties of 3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one?
3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one has a molecular weight of 372.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one is sourced from PubChem (CID 21097005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).