8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine

C21H30N6O2S — CID 170740243

IUPAC8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc3cccc(N4CCN(C5CC5)CC4)c3n2)CC1
InChIInChI=1S/C21H30N6O2S/c1-30(28,29)27-9-7-17(8-10-27)23-21-22-15-16-3-2-4-19(20(16)24-21)26-13-11-25(12-14-26)18-5-6-18/h2-4,15,17-18H,5-14H2,1H3,(H,22,23,24)
InChIKeyZROABIFNDUXYJC-UHFFFAOYSA-N
MW430.58 g/mol
LogP1.75
Rot. Bonds5

About 8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine

8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine (PubChem CID 170740243) has the molecular formula C21H30N6O2S and a molecular weight of 430.58 g/mol. Its IUPAC name is 8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
PubChem CID170740243
Molecular FormulaC21H30N6O2S
Molecular Weight430.58 g/mol
Exact Mass430.22
IUPAC Name8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc3cccc(N4CCN(C5CC5)CC4)c3n2)CC1
InChIInChI=1S/C21H30N6O2S/c1-30(28,29)27-9-7-17(8-10-27)23-21-22-15-16-3-2-4-19(20(16)24-21)26-13-11-25(12-14-26)18-5-6-18/h2-4,15,17-18H,5-14H2,1H3,(H,22,23,24)
InChIKeyZROABIFNDUXYJC-UHFFFAOYSA-N
XLogP1.75
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine?
The IUPAC name of 8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine (CID 170740243) is 8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine.
What is the SMILES notation for 8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine?
The canonical SMILES for 8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine is CS(=O)(=O)N1CCC(Nc2ncc3cccc(N4CCN(C5CC5)CC4)c3n2)CC1.
What is the InChIKey of 8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine?
The InChIKey is ZROABIFNDUXYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2S/c1-30(28,29)27-9-7-17(8-10-27)23-21-22-15-16-3-2-4-19(20(16)24-21)26-13-11-25(12-14-26)18-5-6-18/h2-4,15,17-18H,5-14H2,1H3,(H,22,23,24).
What are the key properties of 8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine?
8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine has a molecular weight of 430.58 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine is sourced from PubChem (CID 170740243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).