2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine

C21H24ClN5O2S — CID 91966139

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C21H24ClN5O2S/c1-15(2)23-20-18-5-3-4-6-19(18)24-21(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)
InChIKeyWGHWLUBFQQAULQ-UHFFFAOYSA-N
MW445.98 g/mol
LogP3.61
Rot. Bonds5

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine (PubChem CID 91966139) has the molecular formula C21H24ClN5O2S and a molecular weight of 445.98 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine
PubChem CID91966139
Molecular FormulaC21H24ClN5O2S
Molecular Weight445.98 g/mol
Exact Mass445.13
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C21H24ClN5O2S/c1-15(2)23-20-18-5-3-4-6-19(18)24-21(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)
InChIKeyWGHWLUBFQQAULQ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-4-amine
CID 41263344
2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-methylquinazolin-4-amine
CID 59993152
2-(4-methylsulfonylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-4-amine
CID 1090838
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68723199
2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-cyclohexylquinazolin-4-amine
CID 23632158
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine
CID 25178132
N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 4997573
2-[(1R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 59993462
1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide
CID 91966112
2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methylphenyl)quinazolin-4-amine
CID 23632156
2-[1-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993367
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
CID 33370889

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine (CID 91966139) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine is CC(C)Nc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine?
The InChIKey is WGHWLUBFQQAULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2S/c1-15(2)23-20-18-5-3-4-6-19(18)24-21(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-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine has a molecular weight of 445.98 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 91966139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).