2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline

C25H27FN4 — CID 17035768

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1ccc(-c2nc(N3CCN(c4ccc(F)cc4)CC3)nc3c2CCCC3)cc1
InChIInChI=1S/C25H27FN4/c1-18-6-8-19(9-7-18)24-22-4-2-3-5-23(22)27-25(28-24)30-16-14-29(15-17-30)21-12-10-20(26)11-13-21/h6-13H,2-5,14-17H2,1H3
InChIKeyASFVOMNQUGGCHD-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.80
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline

2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 17035768) has the molecular formula C25H27FN4 and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID17035768
Molecular FormulaC25H27FN4
Molecular Weight402.52 g/mol
Exact Mass402.22
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1ccc(-c2nc(N3CCN(c4ccc(F)cc4)CC3)nc3c2CCCC3)cc1
InChIInChI=1S/C25H27FN4/c1-18-6-8-19(9-7-18)24-22-4-2-3-5-23(22)27-25(28-24)30-16-14-29(15-17-30)21-12-10-20(26)11-13-21/h6-13H,2-5,14-17H2,1H3
InChIKeyASFVOMNQUGGCHD-UHFFFAOYSA-N
XLogP4.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline (CID 17035768) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline is Cc1ccc(-c2nc(N3CCN(c4ccc(F)cc4)CC3)nc3c2CCCC3)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is ASFVOMNQUGGCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4/c1-18-6-8-19(9-7-18)24-22-4-2-3-5-23(22)27-25(28-24)30-16-14-29(15-17-30)21-12-10-20(26)11-13-21/h6-13H,2-5,14-17H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline?
2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 402.52 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 17035768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).