4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine

C25H31N5O3S — CID 92753690

IUPAC4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(N4CCOCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C25H31N5O3S/c1-19-7-9-21(10-8-19)34(31,32)30-13-11-28(12-14-30)20(2)24-26-23-6-4-3-5-22(23)25(27-24)29-15-17-33-18-16-29/h3-10,20H,11-18H2,1-2H3/t20-/m0/s1
InChIKeyLSMWDMUAPAKZCA-FQEVSTJZSA-N
MW481.62 g/mol
LogP2.84
Rot. Bonds5

About 4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine

4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine (PubChem CID 92753690) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is 4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine
PubChem CID92753690
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC Name4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(N4CCOCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C25H31N5O3S/c1-19-7-9-21(10-8-19)34(31,32)30-13-11-28(12-14-30)20(2)24-26-23-6-4-3-5-22(23)25(27-24)29-15-17-33-18-16-29/h3-10,20H,11-18H2,1-2H3/t20-/m0/s1
InChIKeyLSMWDMUAPAKZCA-FQEVSTJZSA-N
XLogP2.84
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine
CID 23632318
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-pyrrolidin-1-ylquinazoline
CID 59993146
2-[(1R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 59993462
2-[(1R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 92753675
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 98046943
[1-[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]piperidin-4-yl]methanol
CID 59993435
N-cyclohexyl-2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 97170106
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 98046692
N-(4-methylphenyl)-2-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 23632121
2-[(1S)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 92753551
2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 23632205
2-[(1S)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(2,6-dimethylphenyl)quinazolin-4-amine
CID 98046839

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine (CID 92753690) is 4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine is Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(N4CCOCC4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine?
The InChIKey is LSMWDMUAPAKZCA-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-19-7-9-21(10-8-19)34(31,32)30-13-11-28(12-14-30)20(2)24-26-23-6-4-3-5-22(23)25(27-24)29-15-17-33-18-16-29/h3-10,20H,11-18H2,1-2H3/t20-/m0/s1.
What are the key properties of 4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine?
4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine has a molecular weight of 481.62 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine is sourced from PubChem (CID 92753690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).