4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline

C25H23FN4 — CID 15991115

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
SMILESCc1cccc(-c2nc(N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)c1
InChIInChI=1S/C25H23FN4/c1-18-5-4-6-19(17-18)24-27-23-8-3-2-7-22(23)25(28-24)30-15-13-29(14-16-30)21-11-9-20(26)10-12-21/h2-12,17H,13-16H2,1H3
InChIKeyOBRCEIRRFGDREA-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.07
Rot. Bonds3

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline

4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline (PubChem CID 15991115) has the molecular formula C25H23FN4 and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
PubChem CID15991115
Molecular FormulaC25H23FN4
Molecular Weight398.49 g/mol
Exact Mass398.19
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
SMILESCc1cccc(-c2nc(N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)c1
InChIInChI=1S/C25H23FN4/c1-18-5-4-6-19(17-18)24-27-23-8-3-2-7-22(23)25(28-24)30-15-13-29(14-16-30)21-11-9-20(26)10-12-21/h2-12,17H,13-16H2,1H3
InChIKeyOBRCEIRRFGDREA-UHFFFAOYSA-N
XLogP5.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
Revaprazan
CID 204104
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Methylquipazine
CID 5013
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Importazole
CID 2949965
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline (CID 15991115) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline is Cc1cccc(-c2nc(N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)c1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline?
The InChIKey is OBRCEIRRFGDREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4/c1-18-5-4-6-19(17-18)24-27-23-8-3-2-7-22(23)25(28-24)30-15-13-29(14-16-30)21-11-9-20(26)10-12-21/h2-12,17H,13-16H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline?
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline has a molecular weight of 398.49 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline is sourced from PubChem (CID 15991115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).