4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline

C28H36N4O3S — CID 92753659

IUPAC4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline
SMILESCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(OC4CCCCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C28H36N4O3S/c1-3-22-13-15-24(16-14-22)36(33,34)32-19-17-31(18-20-32)21(2)27-29-26-12-8-7-11-25(26)28(30-27)35-23-9-5-4-6-10-23/h7-8,11-16,21,23H,3-6,9-10,17-20H2,1-2H3/t21-/m0/s1
InChIKeyGONXSTVKMZOIQR-NRFANRHFSA-N
MW508.69 g/mol
LogP4.97
Rot. Bonds7

About 4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline

4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline (PubChem CID 92753659) has the molecular formula C28H36N4O3S and a molecular weight of 508.69 g/mol. Its IUPAC name is 4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline.

Molecular Properties

Compound Name4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline
PubChem CID92753659
Molecular FormulaC28H36N4O3S
Molecular Weight508.69 g/mol
Exact Mass508.25
IUPAC Name4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline
SMILESCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(OC4CCCCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C28H36N4O3S/c1-3-22-13-15-24(16-14-22)36(33,34)32-19-17-31(18-20-32)21(2)27-29-26-12-8-7-11-25(26)28(30-27)35-23-9-5-4-6-10-23/h7-8,11-16,21,23H,3-6,9-10,17-20H2,1-2H3/t21-/m0/s1
InChIKeyGONXSTVKMZOIQR-NRFANRHFSA-N
XLogP4.97
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.69
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline
CID 92753661
2-[(1S)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-4-cyclohexyloxyquinazoline
CID 98046929
2-[(1S)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-cyclohexyloxyquinazoline
CID 92753658
2-[(1R)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-cyclohexyloxyquinazoline
CID 92753657
2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-4-cyclopentyloxyquinazoline
CID 59993213
2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 23632205
N-cyclohexyl-2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 97170106
N-cyclohexyl-2-[(1R)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 92753646
2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-cyclohexylquinazolin-4-amine
CID 23632158
2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methoxyphenyl)quinazolin-4-amine
CID 23632209
2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135846060
N-cyclohexyl-2-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 98046740

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline?
The IUPAC name of 4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline (CID 92753659) is 4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline.
What is the SMILES notation for 4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline?
The canonical SMILES for 4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline is CCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(OC4CCCCC4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline?
The InChIKey is GONXSTVKMZOIQR-NRFANRHFSA-N. The full InChI is InChI=1S/C28H36N4O3S/c1-3-22-13-15-24(16-14-22)36(33,34)32-19-17-31(18-20-32)21(2)27-29-26-12-8-7-11-25(26)28(30-27)35-23-9-5-4-6-10-23/h7-8,11-16,21,23H,3-6,9-10,17-20H2,1-2H3/t21-/m0/s1.
What are the key properties of 4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline?
4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline has a molecular weight of 508.69 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline is sourced from PubChem (CID 92753659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).