2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline

C24H24N4O3S — CID 83277241

IUPAC2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccco4)nc4ccc(C)cc34)CC2)cc1
InChIInChI=1S/C24H24N4O3S/c1-17-5-8-19(9-6-17)32(29,30)28-13-11-27(12-14-28)24-20-16-18(2)7-10-21(20)25-23(26-24)22-4-3-15-31-22/h3-10,15-16H,11-14H2,1-2H3
InChIKeyJCKMHKBUXUSJBB-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.02
Rot. Bonds4

About 2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline

2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline (PubChem CID 83277241) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline
PubChem CID83277241
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccco4)nc4ccc(C)cc34)CC2)cc1
InChIInChI=1S/C24H24N4O3S/c1-17-5-8-19(9-6-17)32(29,30)28-13-11-27(12-14-28)24-20-16-18(2)7-10-21(20)25-23(26-24)22-4-3-15-31-22/h3-10,15-16H,11-14H2,1-2H3
InChIKeyJCKMHKBUXUSJBB-UHFFFAOYSA-N
XLogP4.02
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-6-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]quinazoline
CID 83277036
cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone
CID 83277028
2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 3494841
4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 56584266
1-[4-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 26454973
7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline
CID 46133835
2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline
CID 8850818
2-(furan-2-yl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 42799989
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 55515853
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 45422859
4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine
CID 92753690
2-(furan-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18313693

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline?
The IUPAC name of 2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline (CID 83277241) is 2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline?
The canonical SMILES for 2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline is Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccco4)nc4ccc(C)cc34)CC2)cc1.
What is the InChIKey of 2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline?
The InChIKey is JCKMHKBUXUSJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-17-5-8-19(9-6-17)32(29,30)28-13-11-27(12-14-28)24-20-16-18(2)7-10-21(20)25-23(26-24)22-4-3-15-31-22/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline?
2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline has a molecular weight of 448.55 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 83277241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).