7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one

C23H23ClFN3O3 — CID 138512908

IUPAC7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
SMILESO=C(CCc1ccc(F)cc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1
InChIInChI=1S/C23H23ClFN3O3/c24-17-4-7-19-20(13-17)26-15-28(22(19)30)14-23(31)9-11-27(12-10-23)21(29)8-3-16-1-5-18(25)6-2-16/h1-2,4-7,13,15,31H,3,8-12,14H2
InChIKeyFNPSELWMNSFUCZ-UHFFFAOYSA-N
MW443.91 g/mol
LogP3.18
Rot. Bonds5

About 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one

7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 138512908) has the molecular formula C23H23ClFN3O3 and a molecular weight of 443.91 g/mol. Its IUPAC name is 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
PubChem CID138512908
Molecular FormulaC23H23ClFN3O3
Molecular Weight443.91 g/mol
Exact Mass443.14
IUPAC Name7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
SMILESO=C(CCc1ccc(F)cc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1
InChIInChI=1S/C23H23ClFN3O3/c24-17-4-7-19-20(13-17)26-15-28(22(19)30)14-23(31)9-11-27(12-10-23)21(29)8-3-16-1-5-18(25)6-2-16/h1-2,4-7,13,15,31H,3,8-12,14H2
InChIKeyFNPSELWMNSFUCZ-UHFFFAOYSA-N
XLogP3.18
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

6-chloro-1-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]hexane-1,5-dione
CID 161233530
2-chloro-N-[3-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 138513049
N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 138512888
3-[7-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-7-oxoheptanoyl]pyrrolidine-1-carbonitrile
CID 158450776
6-chloro-7-(3-chlorophenyl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one
CID 168993066
6-chloro-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 168993090
4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 138513046
4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxy-N-methyl-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide
CID 155263347
2-[2-(2-aminoethoxy)ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide
CID 138513041
7-chloro-3-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]quinazolin-4-one
CID 167256111
[1-[3-(4-bromophenyl)propanoyl]-4-[(7-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-4-yl] hypoiodite
CID 170125195
1-[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]-7-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]heptane-1,7-dione
CID 158798517

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one (CID 138512908) is 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one is O=C(CCc1ccc(F)cc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1.
What is the InChIKey of 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is FNPSELWMNSFUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O3/c24-17-4-7-19-20(13-17)26-15-28(22(19)30)14-23(31)9-11-27(12-10-23)21(29)8-3-16-1-5-18(25)6-2-16/h1-2,4-7,13,15,31H,3,8-12,14H2.
What are the key properties of 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one?
7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 443.91 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 138512908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).