6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline

C26H32BrN5 — CID 67158528

IUPAC6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline
SMILESCC(c1ccccc1)C(C1CCCNC1)N1CCN(c2ncc3cc(Br)ccc3n2)CC1
InChIInChI=1S/C26H32BrN5/c1-19(20-6-3-2-4-7-20)25(21-8-5-11-28-17-21)31-12-14-32(15-13-31)26-29-18-22-16-23(27)9-10-24(22)30-26/h2-4,6-7,9-10,16,18-19,21,25,28H,5,8,11-15,17H2,1H3
InChIKeyKXHYRPTWIHMRNR-UHFFFAOYSA-N
MW494.48 g/mol
LogP4.69
Rot. Bonds5

About 6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline

6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline (PubChem CID 67158528) has the molecular formula C26H32BrN5 and a molecular weight of 494.48 g/mol. Its IUPAC name is 6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline
PubChem CID67158528
Molecular FormulaC26H32BrN5
Molecular Weight494.48 g/mol
Exact Mass493.18
IUPAC Name6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline
SMILESCC(c1ccccc1)C(C1CCCNC1)N1CCN(c2ncc3cc(Br)ccc3n2)CC1
InChIInChI=1S/C26H32BrN5/c1-19(20-6-3-2-4-7-20)25(21-8-5-11-28-17-21)31-12-14-32(15-13-31)26-29-18-22-16-23(27)9-10-24(22)30-26/h2-4,6-7,9-10,16,18-19,21,25,28H,5,8,11-15,17H2,1H3
InChIKeyKXHYRPTWIHMRNR-UHFFFAOYSA-N
XLogP4.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline (CID 67158528) is 6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline is CC(c1ccccc1)C(C1CCCNC1)N1CCN(c2ncc3cc(Br)ccc3n2)CC1.
What is the InChIKey of 6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline?
The InChIKey is KXHYRPTWIHMRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BrN5/c1-19(20-6-3-2-4-7-20)25(21-8-5-11-28-17-21)31-12-14-32(15-13-31)26-29-18-22-16-23(27)9-10-24(22)30-26/h2-4,6-7,9-10,16,18-19,21,25,28H,5,8,11-15,17H2,1H3.
What are the key properties of 6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline?
6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline has a molecular weight of 494.48 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-(2-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 67158528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).