6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline

C26H31N5O2S — CID 54143177

IUPAC6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline
SMILESO=S(=O)(c1ccc2ncnc(N3CCCCC3)c2c1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C26H31N5O2S/c32-34(33,31-18-16-29(17-19-31)13-7-10-22-8-3-1-4-9-22)23-11-12-25-24(20-23)26(28-21-27-25)30-14-5-2-6-15-30/h1,3-4,7-12,20-21H,2,5-6,13-19H2
InChIKeyOCMUZKOKWLRAFT-UHFFFAOYSA-N
MW477.63 g/mol
LogP3.64
Rot. Bonds6

About 6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline

6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline (PubChem CID 54143177) has the molecular formula C26H31N5O2S and a molecular weight of 477.63 g/mol. Its IUPAC name is 6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline
PubChem CID54143177
Molecular FormulaC26H31N5O2S
Molecular Weight477.63 g/mol
Exact Mass477.22
IUPAC Name6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline
SMILESO=S(=O)(c1ccc2ncnc(N3CCCCC3)c2c1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C26H31N5O2S/c32-34(33,31-18-16-29(17-19-31)13-7-10-22-8-3-1-4-9-22)23-11-12-25-24(20-23)26(28-21-27-25)30-14-5-2-6-15-30/h1,3-4,7-12,20-21H,2,5-6,13-19H2
InChIKeyOCMUZKOKWLRAFT-UHFFFAOYSA-N
XLogP3.64
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2838259
1-(3,4-dimethylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683006
4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 175650898
1-(1,3-benzodioxol-5-ylsulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 113098287
1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 92681903
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 991810
1-(4-methoxy-3-methylphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazine
CID 991809
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
6-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407339
4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinazoline
CID 17455125
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 28590967

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline?
The IUPAC name of 6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline (CID 54143177) is 6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline.
What is the SMILES notation for 6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline?
The canonical SMILES for 6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline is O=S(=O)(c1ccc2ncnc(N3CCCCC3)c2c1)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline?
The InChIKey is OCMUZKOKWLRAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S/c32-34(33,31-18-16-29(17-19-31)13-7-10-22-8-3-1-4-9-22)23-11-12-25-24(20-23)26(28-21-27-25)30-14-5-2-6-15-30/h1,3-4,7-12,20-21H,2,5-6,13-19H2.
What are the key properties of 6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline?
6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline has a molecular weight of 477.63 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline is sourced from PubChem (CID 54143177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).