N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide

C26H23FN4O2 — CID 53052412

IUPACN-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2c(=O)n(-c3ccccc3)c(N3CCCCC3)nc2c1
InChIInChI=1S/C26H23FN4O2/c27-19-10-12-20(13-11-19)28-24(32)18-9-14-22-23(17-18)29-26(30-15-5-2-6-16-30)31(25(22)33)21-7-3-1-4-8-21/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,28,32)
InChIKeyJIKAXZXGBLCQKR-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.77
Rot. Bonds4

About N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide

N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide (PubChem CID 53052412) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide
PubChem CID53052412
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC NameN-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2c(=O)n(-c3ccccc3)c(N3CCCCC3)nc2c1
InChIInChI=1S/C26H23FN4O2/c27-19-10-12-20(13-11-19)28-24(32)18-9-14-22-23(17-18)29-26(30-15-5-2-6-16-30)31(25(22)33)21-7-3-1-4-8-21/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,28,32)
InChIKeyJIKAXZXGBLCQKR-UHFFFAOYSA-N
XLogP4.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052371
N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761101
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761064
3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052429
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761136
methyl 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxoquinazoline-7-carboxylate
CID 53200410
12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4816890
N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052297
methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 22425302
methyl 3-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate
CID 50840933
methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 122174668
12-oxo-N-(4-phenylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 7598609

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide (CID 53052412) is N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc2c(=O)n(-c3ccccc3)c(N3CCCCC3)nc2c1.
What is the InChIKey of N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide?
The InChIKey is JIKAXZXGBLCQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-19-10-12-20(13-11-19)28-24(32)18-9-14-22-23(17-18)29-26(30-15-5-2-6-16-30)31(25(22)33)21-7-3-1-4-8-21/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,28,32).
What are the key properties of N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide?
N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide is sourced from PubChem (CID 53052412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).