4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one

C23H27N3O — CID 16652984

IUPAC4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCC(C)CC2)nc2c1C(=O)CC(/C=C/c1ccccc1)C2
InChIInChI=1S/C23H27N3O/c1-16-10-12-26(13-11-16)23-24-17(2)22-20(25-23)14-19(15-21(22)27)9-8-18-6-4-3-5-7-18/h3-9,16,19H,10-15H2,1-2H3/b9-8+
InChIKeyYQCDGAJOHUSQJJ-CMDGGOBGSA-N
MW361.49 g/mol
LogP4.48
Rot. Bonds3

About 4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one

4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16652984) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16652984
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCC(C)CC2)nc2c1C(=O)CC(/C=C/c1ccccc1)C2
InChIInChI=1S/C23H27N3O/c1-16-10-12-26(13-11-16)23-24-17(2)22-20(25-23)14-19(15-21(22)27)9-8-18-6-4-3-5-7-18/h3-9,16,19H,10-15H2,1-2H3/b9-8+
InChIKeyYQCDGAJOHUSQJJ-CMDGGOBGSA-N
XLogP4.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one (CID 16652984) is 4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCC(C)CC2)nc2c1C(=O)CC(/C=C/c1ccccc1)C2.
What is the InChIKey of 4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YQCDGAJOHUSQJJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-10-12-26(13-11-16)23-24-17(2)22-20(25-23)14-19(15-21(22)27)9-8-18-6-4-3-5-7-18/h3-9,16,19H,10-15H2,1-2H3/b9-8+.
What are the key properties of 4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one?
4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 361.49 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16652984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).