5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one

C30H32FN3O — CID 87892228

IUPAC5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
SMILESCc1ccccc1-c1nc2cccc(-c3ccc(F)cc3)c2c(=O)n1CC1CCCN(C(C)C)C1
InChIInChI=1S/C30H32FN3O/c1-20(2)33-17-7-9-22(18-33)19-34-29(25-10-5-4-8-21(25)3)32-27-12-6-11-26(28(27)30(34)35)23-13-15-24(31)16-14-23/h4-6,8,10-16,20,22H,7,9,17-19H2,1-3H3
InChIKeyAPPJUWQYNBPUIU-UHFFFAOYSA-N
MW469.60 g/mol
LogP6.30
Rot. Bonds5

About 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one

5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one (PubChem CID 87892228) has the molecular formula C30H32FN3O and a molecular weight of 469.60 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
PubChem CID87892228
Molecular FormulaC30H32FN3O
Molecular Weight469.60 g/mol
Exact Mass469.25
IUPAC Name5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
SMILESCc1ccccc1-c1nc2cccc(-c3ccc(F)cc3)c2c(=O)n1CC1CCCN(C(C)C)C1
InChIInChI=1S/C30H32FN3O/c1-20(2)33-17-7-9-22(18-33)19-34-29(25-10-5-4-8-21(25)3)32-27-12-6-11-26(28(27)30(34)35)23-13-15-24(31)16-14-23/h4-6,8,10-16,20,22H,7,9,17-19H2,1-3H3
InChIKeyAPPJUWQYNBPUIU-UHFFFAOYSA-N
XLogP6.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]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

6-(N-ethyl-4-fluoroanilino)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
CID 143175311
6-[3-(hydroxymethyl)phenyl]-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
CID 143175138
5-(3-chloro-4-fluorophenyl)-2-ethyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 91076855
3-[[1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(4-fluorophenyl)-2-(2-methylphenyl)quinazolin-4-one
CID 143175091
6-(3-fluoro-4-phenylphenyl)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143174780
2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143175024
6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57345597
6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143175087
6-(4-chlorophenyl)-3-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-2-(2-methylphenyl)quinazolin-4-one
CID 143174834
2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-6-(3,4,5-trifluorophenyl)quinazolin-4-one
CID 143174829
tert-butyl 3-[[6-(4-fluorophenoxy)-2-(2-methylphenyl)-4-oxoquinazolin-3-yl]methyl]piperidine-1-carboxylate
CID 23631025
6-(1,3-benzothiazol-6-yloxy)-3-[[(3S)-1-(2-(18F)fluoroethyl)piperidin-3-yl]methyl]-2-(2-methylphenyl)quinazolin-4-one;3-[[(3S)-1-(2-(18F)fluoroethyl)piperidin-3-yl]methyl]-6-(4-methylphenoxy)-2-(2-methylphenyl)quinazolin-4-one;2-[2-fluoro-4-(2-(18F)fluoroethoxy)phenyl]-6-(4-methylphenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 163777443

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one (CID 87892228) is 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one is Cc1ccccc1-c1nc2cccc(-c3ccc(F)cc3)c2c(=O)n1CC1CCCN(C(C)C)C1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one?
The InChIKey is APPJUWQYNBPUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O/c1-20(2)33-17-7-9-22(18-33)19-34-29(25-10-5-4-8-21(25)3)32-27-12-6-11-26(28(27)30(34)35)23-13-15-24(31)16-14-23/h4-6,8,10-16,20,22H,7,9,17-19H2,1-3H3.
What are the key properties of 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one?
5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one has a molecular weight of 469.60 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 87892228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).