2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one

C20H17N3O — CID 2921692

IUPAC2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1cccc(C2Nc3ccccc3C(=O)N2c2ccccc2)n1
InChIInChI=1S/C20H17N3O/c1-14-8-7-13-18(21-14)19-22-17-12-6-5-11-16(17)20(24)23(19)15-9-3-2-4-10-15/h2-13,19,22H,1H3
InChIKeyXOMZIARGIYGRDS-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.16
Rot. Bonds2

About 2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one

2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 2921692) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID2921692
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1cccc(C2Nc3ccccc3C(=O)N2c2ccccc2)n1
InChIInChI=1S/C20H17N3O/c1-14-8-7-13-18(21-14)19-22-17-12-6-5-11-16(17)20(24)23(19)15-9-3-2-4-10-15/h2-13,19,22H,1H3
InChIKeyXOMZIARGIYGRDS-UHFFFAOYSA-N
XLogP4.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 2921692) is 2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one is Cc1cccc(C2Nc3ccccc3C(=O)N2c2ccccc2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is XOMZIARGIYGRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-8-7-13-18(21-14)19-22-17-12-6-5-11-16(17)20(24)23(19)15-9-3-2-4-10-15/h2-13,19,22H,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 315.38 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2921692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).