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

C29H38N4O3S — CID 92753661

IUPAC4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline
SMILESCCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(OC4CCCCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C29H38N4O3S/c1-3-9-23-14-16-25(17-15-23)37(34,35)33-20-18-32(19-21-33)22(2)28-30-27-13-8-7-12-26(27)29(31-28)36-24-10-5-4-6-11-24/h7-8,12-17,22,24H,3-6,9-11,18-21H2,1-2H3/t22-/m0/s1
InChIKeyJUBLDKLEMBNGIF-QFIPXVFZSA-N
MW522.72 g/mol
LogP5.36
Rot. Bonds8

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

4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline (PubChem CID 92753661) has the molecular formula C29H38N4O3S and a molecular weight of 522.72 g/mol. Its IUPAC name is 4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline.

Molecular Properties

Compound Name4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline
PubChem CID92753661
Molecular FormulaC29H38N4O3S
Molecular Weight522.72 g/mol
Exact Mass522.27
IUPAC Name4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline
SMILESCCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(OC4CCCCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C29H38N4O3S/c1-3-9-23-14-16-25(17-15-23)37(34,35)33-20-18-32(19-21-33)22(2)28-30-27-13-8-7-12-26(27)29(31-28)36-24-10-5-4-6-11-24/h7-8,12-17,22,24H,3-6,9-11,18-21H2,1-2H3/t22-/m0/s1
InChIKeyJUBLDKLEMBNGIF-QFIPXVFZSA-N
XLogP5.36
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.72
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclohexyloxy-2-[(1S)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline
CID 92753659
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
N-(2-phenylethyl)-2-[(1R)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 98046882
2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine
CID 23632260
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-[(1S)-1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(2-methylphenyl)quinazolin-4-amine
CID 98046921
2-[(1S)-1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 98046905

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline?
The IUPAC name of 4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline (CID 92753661) is 4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline.
What is the SMILES notation for 4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline?
The canonical SMILES for 4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline is CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(OC4CCCCC4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline?
The InChIKey is JUBLDKLEMBNGIF-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H38N4O3S/c1-3-9-23-14-16-25(17-15-23)37(34,35)33-20-18-32(19-21-33)22(2)28-30-27-13-8-7-12-26(27)29(31-28)36-24-10-5-4-6-11-24/h7-8,12-17,22,24H,3-6,9-11,18-21H2,1-2H3/t22-/m0/s1.
What are the key properties of 4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline?
4-cyclohexyloxy-2-[(1S)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline has a molecular weight of 522.72 g/mol, XLogP of 5.36, 8 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-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline is sourced from PubChem (CID 92753661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).