8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

C23H19N5O — CID 55598846

IUPAC8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cccc2c1NC(c1cn(-c3ccccc3)nc1-c1cccnc1)NC2=O
InChIInChI=1S/C23H19N5O/c1-15-7-5-11-18-20(15)25-22(26-23(18)29)19-14-28(17-9-3-2-4-10-17)27-21(19)16-8-6-12-24-13-16/h2-14,22,25H,1H3,(H,26,29)
InChIKeyXSGANTNHROPMJV-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.10
Rot. Bonds3

About 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 55598846) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID55598846
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cccc2c1NC(c1cn(-c3ccccc3)nc1-c1cccnc1)NC2=O
InChIInChI=1S/C23H19N5O/c1-15-7-5-11-18-20(15)25-22(26-23(18)29)19-14-28(17-9-3-2-4-10-17)27-21(19)16-8-6-12-24-13-16/h2-14,22,25H,1H3,(H,26,29)
InChIKeyXSGANTNHROPMJV-UHFFFAOYSA-N
XLogP4.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-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

Related Compounds

8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 42886890
(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136877867
3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 17440646
3-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352949
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 2407170
N-(2,3-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8714286
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
3-benzyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 3555205
4-methyl-2,6-bis[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]cyclohexan-1-one
CID 4201964
N-[(3S)-2-oxoazepan-3-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 94133021
N-(2-oxoazepan-3-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 71892750

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (CID 55598846) is 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is Cc1cccc2c1NC(c1cn(-c3ccccc3)nc1-c1cccnc1)NC2=O.
What is the InChIKey of 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is XSGANTNHROPMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-15-7-5-11-18-20(15)25-22(26-23(18)29)19-14-28(17-9-3-2-4-10-17)27-21(19)16-8-6-12-24-13-16/h2-14,22,25H,1H3,(H,26,29).
What are the key properties of 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 381.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 55598846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).