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

C26H32FN3O2 — CID 143174930

IUPAC6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
SMILESCC(C)c1nc2ccc(Oc3ccccc3F)cc2c(=O)n1CC1CCCN(C(C)C)C1
InChIInChI=1S/C26H32FN3O2/c1-17(2)25-28-23-12-11-20(32-24-10-6-5-9-22(24)27)14-21(23)26(31)30(25)16-19-8-7-13-29(15-19)18(3)4/h5-6,9-12,14,17-19H,7-8,13,15-16H2,1-4H3
InChIKeyFVWZYIWEOPAKFK-UHFFFAOYSA-N
MW437.56 g/mol
LogP5.57
Rot. Bonds6

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

6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one (PubChem CID 143174930) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
PubChem CID143174930
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
SMILESCC(C)c1nc2ccc(Oc3ccccc3F)cc2c(=O)n1CC1CCCN(C(C)C)C1
InChIInChI=1S/C26H32FN3O2/c1-17(2)25-28-23-12-11-20(32-24-10-6-5-9-22(24)27)14-21(23)26(31)30(25)16-19-8-7-13-29(15-19)18(3)4/h5-6,9-12,14,17-19H,7-8,13,15-16H2,1-4H3
InChIKeyFVWZYIWEOPAKFK-UHFFFAOYSA-N
XLogP5.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.56
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-(3-methylphenoxy)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 11604467
6-(3-fluoro-4-phenylphenyl)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143174780
2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-6-(3,4,5-trifluorophenyl)quinazolin-4-one
CID 143174829
6-(4-aminophenyl)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143175273
2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143175024
2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-6-[(5-fluoro-2-pyridinyl)oxy]-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 135352374
6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 57394797
6-(N-ethyl-4-fluoroanilino)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
CID 143175311
6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57345597
3-[[(3S)-1-ethylpiperidin-3-yl]methyl]-6-(4-fluoro-3-methylphenyl)-2-propan-2-ylquinazolin-4-one
CID 143175374
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
6-[3-(hydroxymethyl)phenyl]-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
CID 143175138

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one (CID 143174930) is 6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one is CC(C)c1nc2ccc(Oc3ccccc3F)cc2c(=O)n1CC1CCCN(C(C)C)C1.
What is the InChIKey of 6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one?
The InChIKey is FVWZYIWEOPAKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-17(2)25-28-23-12-11-20(32-24-10-6-5-9-22(24)27)14-21(23)26(31)30(25)16-19-8-7-13-29(15-19)18(3)4/h5-6,9-12,14,17-19H,7-8,13,15-16H2,1-4H3.
What are the key properties of 6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one?
6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one has a molecular weight of 437.56 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 143174930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).