4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine

C27H35N5O3S — CID 23632318

IUPAC4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(C)c3nc(N4CCOCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C27H35N5O3S/c1-20(2)22-8-10-23(11-9-22)36(33,34)32-14-12-30(13-15-32)21(3)26-28-25-7-5-4-6-24(25)27(29-26)31-16-18-35-19-17-31/h4-11,20-21H,12-19H2,1-3H3
InChIKeyQZYBTDWWMPLSAZ-UHFFFAOYSA-N
MW509.68 g/mol
LogP3.66
Rot. Bonds6

About 4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine

4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine (PubChem CID 23632318) has the molecular formula C27H35N5O3S and a molecular weight of 509.68 g/mol. Its IUPAC name is 4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine
PubChem CID23632318
Molecular FormulaC27H35N5O3S
Molecular Weight509.68 g/mol
Exact Mass509.25
IUPAC Name4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(C)c3nc(N4CCOCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C27H35N5O3S/c1-20(2)22-8-10-23(11-9-22)36(33,34)32-14-12-30(13-15-32)21(3)26-28-25-7-5-4-6-24(25)27(29-26)31-16-18-35-19-17-31/h4-11,20-21H,12-19H2,1-3H3
InChIKeyQZYBTDWWMPLSAZ-UHFFFAOYSA-N
XLogP3.66
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.68
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine (CID 23632318) is 4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine is CC(C)c1ccc(S(=O)(=O)N2CCN(C(C)c3nc(N4CCOCC4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine?
The InChIKey is QZYBTDWWMPLSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3S/c1-20(2)22-8-10-23(11-9-22)36(33,34)32-14-12-30(13-15-32)21(3)26-28-25-7-5-4-6-24(25)27(29-26)31-16-18-35-19-17-31/h4-11,20-21H,12-19H2,1-3H3.
What are the key properties of 4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine?
4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine has a molecular weight of 509.68 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine is sourced from PubChem (CID 23632318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).