2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine

C21H24ClN5O2S — CID 59993152

IUPAC2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine
SMILESCNc1nc(C(C)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C21H24ClN5O2S/c1-15(20-24-19-6-4-3-5-18(19)21(23-2)25-20)26-11-13-27(14-12-26)30(28,29)17-9-7-16(22)8-10-17/h3-10,15H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyPRXHXRMPVLNRGV-UHFFFAOYSA-N
MW445.98 g/mol
LogP3.39
Rot. Bonds5

About 2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine

2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine (PubChem CID 59993152) has the molecular formula C21H24ClN5O2S and a molecular weight of 445.98 g/mol. Its IUPAC name is 2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine
PubChem CID59993152
Molecular FormulaC21H24ClN5O2S
Molecular Weight445.98 g/mol
Exact Mass445.13
IUPAC Name2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine
SMILESCNc1nc(C(C)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C21H24ClN5O2S/c1-15(20-24-19-6-4-3-5-18(19)21(23-2)25-20)26-11-13-27(14-12-26)30(28,29)17-9-7-16(22)8-10-17/h3-10,15H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyPRXHXRMPVLNRGV-UHFFFAOYSA-N
XLogP3.39
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.98
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-cyclohexylquinazolin-4-amine
CID 23632158
2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methylphenyl)quinazolin-4-amine
CID 23632156
2-[(1R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 59993462
2-[(1R)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine
CID 92753550
N-cyclohexyl-2-[(1R)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 92753646
N-benzyl-2-[(1S)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 98046694
N-benzyl-2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 98046695
N-benzyl-2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 23632192
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 98046692
N-cyclohexyl-2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 97170106
2-[(1S)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(2,6-dimethylphenyl)quinazolin-4-amine
CID 98046839
2-[(1S)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 92753551

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine?
The IUPAC name of 2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine (CID 59993152) is 2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine?
The canonical SMILES for 2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine is CNc1nc(C(C)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine?
The InChIKey is PRXHXRMPVLNRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2S/c1-15(20-24-19-6-4-3-5-18(19)21(23-2)25-20)26-11-13-27(14-12-26)30(28,29)17-9-7-16(22)8-10-17/h3-10,15H,11-14H2,1-2H3,(H,23,24,25).
What are the key properties of 2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine?
2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine has a molecular weight of 445.98 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 59993152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).