4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one

C21H19N3O2 — CID 71276574

IUPAC4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(-c2nc(-c3cccc(C)n3)nc3c2C(=O)CCC3)c1
InChIInChI=1S/C21H19N3O2/c1-13-6-3-10-17(22-13)21-23-16-9-5-11-18(25)19(16)20(24-21)14-7-4-8-15(12-14)26-2/h3-4,6-8,10,12H,5,9,11H2,1-2H3
InChIKeyNBLZBGPJXCPKPS-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.04
Rot. Bonds3

About 4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one

4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 71276574) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID71276574
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(-c2nc(-c3cccc(C)n3)nc3c2C(=O)CCC3)c1
InChIInChI=1S/C21H19N3O2/c1-13-6-3-10-17(22-13)21-23-16-9-5-11-18(25)19(16)20(24-21)14-7-4-8-15(12-14)26-2/h3-4,6-8,10,12H,5,9,11H2,1-2H3
InChIKeyNBLZBGPJXCPKPS-UHFFFAOYSA-N
XLogP4.04
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one (CID 71276574) is 4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one is COc1cccc(-c2nc(-c3cccc(C)n3)nc3c2C(=O)CCC3)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is NBLZBGPJXCPKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13-6-3-10-17(22-13)21-23-16-9-5-11-18(25)19(16)20(24-21)14-7-4-8-15(12-14)26-2/h3-4,6-8,10,12H,5,9,11H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 345.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 71276574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).