6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one

C25H26FN3O4 — CID 136607500

IUPAC6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4ccc(F)cc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C25H26FN3O4/c1-33-19-8-5-16(6-9-19)24(31)17-11-13-29(14-12-17)23(30)4-2-3-22-27-21-10-7-18(26)15-20(21)25(32)28-22/h5-10,15,17H,2-4,11-14H2,1H3,(H,27,28,32)
InChIKeyPIIXNGQWVIDPIP-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.52
Rot. Bonds7

About 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one

6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one (PubChem CID 136607500) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
PubChem CID136607500
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4ccc(F)cc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C25H26FN3O4/c1-33-19-8-5-16(6-9-19)24(31)17-11-13-29(14-12-17)23(30)4-2-3-22-27-21-10-7-18(26)15-20(21)25(32)28-22/h5-10,15,17H,2-4,11-14H2,1H3,(H,27,28,32)
InChIKeyPIIXNGQWVIDPIP-UHFFFAOYSA-N
XLogP3.52
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-8-methyl-3H-quinazolin-4-one
CID 136607609
2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135949295
7-fluoro-2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136929591
6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118507414
6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136930790
1-methyl-6-[4-[4-(4-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136929613
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-5-(2H-triazol-4-yl)pentan-1-one
CID 75455687
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one
CID 154775058
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
2-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-7-methyl-3H-thieno[3,4-d]pyrimidin-4-one
CID 136930848
2-[4-[4-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136930831

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one (CID 136607500) is 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one is COc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4ccc(F)cc4c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The InChIKey is PIIXNGQWVIDPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-33-19-8-5-16(6-9-19)24(31)17-11-13-29(14-12-17)23(30)4-2-3-22-27-21-10-7-18(26)15-20(21)25(32)28-22/h5-10,15,17H,2-4,11-14H2,1H3,(H,27,28,32).
What are the key properties of 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one has a molecular weight of 451.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136607500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).