2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one

C25H30FN3O — CID 143175024

IUPAC2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
SMILESCCc1nc2ccc(-c3ccccc3F)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C25H30FN3O/c1-4-24-27-23-12-11-19(20-9-5-6-10-22(20)26)14-21(23)25(30)29(24)16-18-8-7-13-28(15-18)17(2)3/h5-6,9-12,14,17-18H,4,7-8,13,15-16H2,1-3H3/t18-/m0/s1
InChIKeyUOJHXPWYTHOBBR-SFHVURJKSA-N
MW407.53 g/mol
LogP4.89
Rot. Bonds5

About 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one

2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one (PubChem CID 143175024) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
PubChem CID143175024
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
SMILESCCc1nc2ccc(-c3ccccc3F)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C25H30FN3O/c1-4-24-27-23-12-11-19(20-9-5-6-10-22(20)26)14-21(23)25(30)29(24)16-18-8-7-13-28(15-18)17(2)3/h5-6,9-12,14,17-18H,4,7-8,13,15-16H2,1-3H3/t18-/m0/s1
InChIKeyUOJHXPWYTHOBBR-SFHVURJKSA-N
XLogP4.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

6-(3-fluoro-4-phenylphenyl)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143174780
5-(3-chloro-4-fluorophenyl)-2-ethyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 91076855
2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-6-(3,4,5-trifluorophenyl)quinazolin-4-one
CID 143174829
6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143175087
6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
CID 143174930
6-[3-(hydroxymethyl)phenyl]-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
CID 143175138
6-(4-aminophenyl)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143175273
6-(N-ethyl-4-fluoroanilino)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
CID 143175311
6-(4-chlorophenyl)-2-ethyl-3-[[(3S)-1-ethylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143175381
5-(4-fluorophenyl)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
CID 87892228
3-[[(3S)-1-ethylpiperidin-3-yl]methyl]-6-(4-fluoro-3-methylphenyl)-2-propan-2-ylquinazolin-4-one
CID 143175374
3-[[1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(4-fluorophenyl)-2-(2-methylphenyl)quinazolin-4-one
CID 143175091

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one?
The IUPAC name of 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one (CID 143175024) is 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one?
The canonical SMILES for 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one is CCc1nc2ccc(-c3ccccc3F)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1.
What is the InChIKey of 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one?
The InChIKey is UOJHXPWYTHOBBR-SFHVURJKSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-4-24-27-23-12-11-19(20-9-5-6-10-22(20)26)14-21(23)25(30)29(24)16-18-8-7-13-28(15-18)17(2)3/h5-6,9-12,14,17-18H,4,7-8,13,15-16H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one?
2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one has a molecular weight of 407.53 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 143175024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).