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

C22H21N3O — CID 2921773

IUPAC2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cccc(C2Nc3ccccc3C(=O)N2CCc2ccccc2)n1
InChIInChI=1S/C22H21N3O/c1-16-8-7-13-20(23-16)21-24-19-12-6-5-11-18(19)22(26)25(21)15-14-17-9-3-2-4-10-17/h2-13,21,24H,14-15H2,1H3
InChIKeyUDUCWHQCWKNPCA-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.20
Rot. Bonds4

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

2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2921773) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
PubChem CID2921773
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cccc(C2Nc3ccccc3C(=O)N2CCc2ccccc2)n1
InChIInChI=1S/C22H21N3O/c1-16-8-7-13-20(23-16)21-24-19-12-6-5-11-18(19)22(26)25(21)15-14-17-9-3-2-4-10-17/h2-13,21,24H,14-15H2,1H3
InChIKeyUDUCWHQCWKNPCA-UHFFFAOYSA-N
XLogP4.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.20
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-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (CID 2921773) is 2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is Cc1cccc(C2Nc3ccccc3C(=O)N2CCc2ccccc2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is UDUCWHQCWKNPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16-8-7-13-20(23-16)21-24-19-12-6-5-11-18(19)22(26)25(21)15-14-17-9-3-2-4-10-17/h2-13,21,24H,14-15H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
2-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 4.20, 4 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-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2921773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).