4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline

C28H29FN4O2 — CID 56696133

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline
SMILESCOc1cc2nc(CCc3ccccc3)nc(N3CCN(c4ccccc4F)CC3)c2cc1OC
InChIInChI=1S/C28H29FN4O2/c1-34-25-18-21-23(19-26(25)35-2)30-27(13-12-20-8-4-3-5-9-20)31-28(21)33-16-14-32(15-17-33)24-11-7-6-10-22(24)29/h3-11,18-19H,12-17H2,1-2H3
InChIKeyVCEQFPLFICHWLY-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.90
Rot. Bonds7

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline

4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline (PubChem CID 56696133) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline
PubChem CID56696133
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline
SMILESCOc1cc2nc(CCc3ccccc3)nc(N3CCN(c4ccccc4F)CC3)c2cc1OC
InChIInChI=1S/C28H29FN4O2/c1-34-25-18-21-23(19-26(25)35-2)30-27(13-12-20-8-4-3-5-9-20)31-28(21)33-16-14-32(15-17-33)24-11-7-6-10-22(24)29/h3-11,18-19H,12-17H2,1-2H3
InChIKeyVCEQFPLFICHWLY-UHFFFAOYSA-N
XLogP4.90
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline (CID 56696133) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline is COc1cc2nc(CCc3ccccc3)nc(N3CCN(c4ccccc4F)CC3)c2cc1OC.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline?
The InChIKey is VCEQFPLFICHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c1-34-25-18-21-23(19-26(25)35-2)30-27(13-12-20-8-4-3-5-9-20)31-28(21)33-16-14-32(15-17-33)24-11-7-6-10-22(24)29/h3-11,18-19H,12-17H2,1-2H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline?
4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline has a molecular weight of 472.56 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline is sourced from PubChem (CID 56696133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).