7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine

C25H25FN6 — CID 143226542

IUPAC7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc(-c3c(F)cccc3N3CCN(Cc4ccccc4)CC3)cc2n1
InChIInChI=1S/C25H25FN6/c26-20-7-4-8-22(32-13-11-31(12-14-32)16-17-5-2-1-3-6-17)23(20)18-9-10-19-21(15-18)29-25(28)30-24(19)27/h1-10,15H,11-14,16H2,(H4,27,28,29,30)
InChIKeyWRWGNAMAHMSFMP-UHFFFAOYSA-N
MW428.52 g/mol
LogP3.92
Rot. Bonds4

About 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine

7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine (PubChem CID 143226542) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine
PubChem CID143226542
Molecular FormulaC25H25FN6
Molecular Weight428.52 g/mol
Exact Mass428.21
IUPAC Name7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc(-c3c(F)cccc3N3CCN(Cc4ccccc4)CC3)cc2n1
InChIInChI=1S/C25H25FN6/c26-20-7-4-8-22(32-13-11-31(12-14-32)16-17-5-2-1-3-6-17)23(20)18-9-10-19-21(15-18)29-25(28)30-24(19)27/h1-10,15H,11-14,16H2,(H4,27,28,29,30)
InChIKeyWRWGNAMAHMSFMP-UHFFFAOYSA-N
XLogP3.92
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 95506080
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine
CID 15948573
azane;2-(4-benzylpiperazin-1-yl)-6-fluorobenzoic acid
CID 174394059
2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 52995833
1-benzyl-4-(2,3,4-trifluorophenyl)piperazine
CID 110452591
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 112746482
4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid
CID 7138046
1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
CID 130302892

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine?
The IUPAC name of 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine (CID 143226542) is 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine.
What is the SMILES notation for 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine?
The canonical SMILES for 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine is Nc1nc(N)c2ccc(-c3c(F)cccc3N3CCN(Cc4ccccc4)CC3)cc2n1.
What is the InChIKey of 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine?
The InChIKey is WRWGNAMAHMSFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6/c26-20-7-4-8-22(32-13-11-31(12-14-32)16-17-5-2-1-3-6-17)23(20)18-9-10-19-21(15-18)29-25(28)30-24(19)27/h1-10,15H,11-14,16H2,(H4,27,28,29,30).
What are the key properties of 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine?
7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine has a molecular weight of 428.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 143226542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).