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

C26H32BrN5 — CID 69129028

IUPAC6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline
SMILESBrc1ccc2nc(N3CCNC[C@H]3C(CCc3ccccc3)C3CCCNC3)ncc2c1
InChIInChI=1S/C26H32BrN5/c27-22-9-11-24-21(15-22)17-30-26(31-24)32-14-13-29-18-25(32)23(20-7-4-12-28-16-20)10-8-19-5-2-1-3-6-19/h1-3,5-6,9,11,15,17,20,23,25,28-29H,4,7-8,10,12-14,16,18H2/t20?,23?,25-/m0/s1
InChIKeyYOOGCLPSBWPOCA-QNAFOZIXSA-N
MW494.48 g/mol
LogP4.42
Rot. Bonds6

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

6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline (PubChem CID 69129028) has the molecular formula C26H32BrN5 and a molecular weight of 494.48 g/mol. Its IUPAC name is 6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline
PubChem CID69129028
Molecular FormulaC26H32BrN5
Molecular Weight494.48 g/mol
Exact Mass493.18
IUPAC Name6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline
SMILESBrc1ccc2nc(N3CCNC[C@H]3C(CCc3ccccc3)C3CCCNC3)ncc2c1
InChIInChI=1S/C26H32BrN5/c27-22-9-11-24-21(15-22)17-30-26(31-24)32-14-13-29-18-25(32)23(20-7-4-12-28-16-20)10-8-19-5-2-1-3-6-19/h1-3,5-6,9,11,15,17,20,23,25,28-29H,4,7-8,10,12-14,16,18H2/t20?,23?,25-/m0/s1
InChIKeyYOOGCLPSBWPOCA-QNAFOZIXSA-N
XLogP4.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline (CID 69129028) is 6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline is Brc1ccc2nc(N3CCNC[C@H]3C(CCc3ccccc3)C3CCCNC3)ncc2c1.
What is the InChIKey of 6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline?
The InChIKey is YOOGCLPSBWPOCA-QNAFOZIXSA-N. The full InChI is InChI=1S/C26H32BrN5/c27-22-9-11-24-21(15-22)17-30-26(31-24)32-14-13-29-18-25(32)23(20-7-4-12-28-16-20)10-8-19-5-2-1-3-6-19/h1-3,5-6,9,11,15,17,20,23,25,28-29H,4,7-8,10,12-14,16,18H2/t20?,23?,25-/m0/s1.
What are the key properties of 6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline?
6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline has a molecular weight of 494.48 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(2R)-2-(3-phenyl-1-piperidin-3-ylpropyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 69129028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).