8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one

C23H23N3O2 — CID 17421067

IUPAC8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc(C2=CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)cc1
InChIInChI=1S/C23H23N3O2/c1-16-6-8-18(9-7-16)19-10-12-25(13-11-19)21(27)14-26-15-24-22-17(2)4-3-5-20(22)23(26)28/h3-10,15H,11-14H2,1-2H3
InChIKeyDVUOTEGDIZXSKP-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.33
Rot. Bonds3

About 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one

8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 17421067) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID17421067
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc(C2=CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)cc1
InChIInChI=1S/C23H23N3O2/c1-16-6-8-18(9-7-16)19-10-12-25(13-11-19)21(27)14-26-15-24-22-17(2)4-3-5-20(22)23(26)28/h3-10,15H,11-14H2,1-2H3
InChIKeyDVUOTEGDIZXSKP-UHFFFAOYSA-N
XLogP3.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 17421067) is 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one is Cc1ccc(C2=CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)cc1.
What is the InChIKey of 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is DVUOTEGDIZXSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-6-8-18(9-7-16)19-10-12-25(13-11-19)21(27)14-26-15-24-22-17(2)4-3-5-20(22)23(26)28/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one?
8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 373.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 17421067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).