2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one

C20H17N3O — CID 71271326

IUPAC2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cccc(-c2nc3c(c(-c4ccccc4)n2)C(=O)CCC3)n1
InChIInChI=1S/C20H17N3O/c1-13-7-5-11-16(21-13)20-22-15-10-6-12-17(24)18(15)19(23-20)14-8-3-2-4-9-14/h2-5,7-9,11H,6,10,12H2,1H3
InChIKeyCZZWTPRIHBDDIX-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.03
Rot. Bonds2

About 2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one

2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 71271326) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID71271326
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cccc(-c2nc3c(c(-c4ccccc4)n2)C(=O)CCC3)n1
InChIInChI=1S/C20H17N3O/c1-13-7-5-11-16(21-13)20-22-15-10-6-12-17(24)18(15)19(23-20)14-8-3-2-4-9-14/h2-5,7-9,11H,6,10,12H2,1H3
InChIKeyCZZWTPRIHBDDIX-UHFFFAOYSA-N
XLogP4.03
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 71271326) is 2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one is Cc1cccc(-c2nc3c(c(-c4ccccc4)n2)C(=O)CCC3)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is CZZWTPRIHBDDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-7-5-11-16(21-13)20-22-15-10-6-12-17(24)18(15)19(23-20)14-8-3-2-4-9-14/h2-5,7-9,11H,6,10,12H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 315.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 71271326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).