2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one

C14H16N4O — CID 20799410

IUPAC2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one
SMILESCc1nc2cc(C3=NCCN3C)ccc2c(=O)n1C
InChIInChI=1S/C14H16N4O/c1-9-16-12-8-10(13-15-6-7-17(13)2)4-5-11(12)14(19)18(9)3/h4-5,8H,6-7H2,1-3H3
InChIKeyXAOYLPGFQCILJS-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.93
Rot. Bonds1

About 2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one

2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one (PubChem CID 20799410) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one
PubChem CID20799410
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one
SMILESCc1nc2cc(C3=NCCN3C)ccc2c(=O)n1C
InChIInChI=1S/C14H16N4O/c1-9-16-12-8-10(13-15-6-7-17(13)2)4-5-11(12)14(19)18(9)3/h4-5,8H,6-7H2,1-3H3
InChIKeyXAOYLPGFQCILJS-UHFFFAOYSA-N
XLogP0.93
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one?
The IUPAC name of 2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one (CID 20799410) is 2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one.
What is the SMILES notation for 2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one?
The canonical SMILES for 2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one is Cc1nc2cc(C3=NCCN3C)ccc2c(=O)n1C.
What is the InChIKey of 2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one?
The InChIKey is XAOYLPGFQCILJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-16-12-8-10(13-15-6-7-17(13)2)4-5-11(12)14(19)18(9)3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one?
2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one has a molecular weight of 256.31 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one is sourced from PubChem (CID 20799410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).