4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide

C24H36N8O2S — CID 146027027

IUPAC4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide
SMILESCCN(C)c1nc(N(C)C2CCN(C)CC2)nc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc12
InChIInChI=1S/C24H36N8O2S/c1-8-30(5)23-20-15-19(35(33,34)28-22-16(2)27-32(7)17(22)3)9-10-21(20)25-24(26-23)31(6)18-11-13-29(4)14-12-18/h9-10,15,18,28H,8,11-14H2,1-7H3
InChIKeyFKMXYCIDOKESEP-UHFFFAOYSA-N
MW500.67 g/mol
LogP2.77
Rot. Bonds7

About 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide

4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide (PubChem CID 146027027) has the molecular formula C24H36N8O2S and a molecular weight of 500.67 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide
PubChem CID146027027
Molecular FormulaC24H36N8O2S
Molecular Weight500.67 g/mol
Exact Mass500.27
IUPAC Name4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide
SMILESCCN(C)c1nc(N(C)C2CCN(C)CC2)nc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc12
InChIInChI=1S/C24H36N8O2S/c1-8-30(5)23-20-15-19(35(33,34)28-22-16(2)27-32(7)17(22)3)9-10-21(20)25-24(26-23)31(6)18-11-13-29(4)14-12-18/h9-10,15,18,28H,8,11-14H2,1-7H3
InChIKeyFKMXYCIDOKESEP-UHFFFAOYSA-N
XLogP2.77
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.67
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide?
The IUPAC name of 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide (CID 146027027) is 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide is CCN(C)c1nc(N(C)C2CCN(C)CC2)nc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc12.
What is the InChIKey of 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide?
The InChIKey is FKMXYCIDOKESEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N8O2S/c1-8-30(5)23-20-15-19(35(33,34)28-22-16(2)27-32(7)17(22)3)9-10-21(20)25-24(26-23)31(6)18-11-13-29(4)14-12-18/h9-10,15,18,28H,8,11-14H2,1-7H3.
What are the key properties of 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide?
4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide has a molecular weight of 500.67 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide is sourced from PubChem (CID 146027027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).