N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide

C21H21FN4O — CID 69014897

IUPACN-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(N2CCCCC2)c2cc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C21H21FN4O/c1-14(27)23-21-24-19-10-7-16(15-5-8-17(22)9-6-15)13-18(19)20(25-21)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12H2,1H3,(H,23,24,25,27)
InChIKeyQJKVFQQHDZWQRD-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.38
Rot. Bonds3

About N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide

N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide (PubChem CID 69014897) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide
PubChem CID69014897
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(N2CCCCC2)c2cc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C21H21FN4O/c1-14(27)23-21-24-19-10-7-16(15-5-8-17(22)9-6-15)13-18(19)20(25-21)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12H2,1H3,(H,23,24,25,27)
InChIKeyQJKVFQQHDZWQRD-UHFFFAOYSA-N
XLogP4.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Revaprazan
CID 204104
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
Importazole
CID 2949965
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135543905
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
CID 146018719
1-{(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135526883

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide?
The IUPAC name of N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide (CID 69014897) is N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide is CC(=O)Nc1nc(N2CCCCC2)c2cc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide?
The InChIKey is QJKVFQQHDZWQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(27)23-21-24-19-10-7-16(15-5-8-17(22)9-6-15)13-18(19)20(25-21)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12H2,1H3,(H,23,24,25,27).
What are the key properties of N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide?
N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide has a molecular weight of 364.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide is sourced from PubChem (CID 69014897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).