4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline

C19H26N4O2S — CID 146106523

IUPAC4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline
SMILESCc1nc(N2CCC(S(=O)(=O)N3CCCCC3)CC2)nc2ccccc12
InChIInChI=1S/C19H26N4O2S/c1-15-17-7-3-4-8-18(17)21-19(20-15)22-13-9-16(10-14-22)26(24,25)23-11-5-2-6-12-23/h3-4,7-8,16H,2,5-6,9-14H2,1H3
InChIKeyAOUCVGUCWHYJRQ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.72
Rot. Bonds3

About 4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline

4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline (PubChem CID 146106523) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline
PubChem CID146106523
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline
SMILESCc1nc(N2CCC(S(=O)(=O)N3CCCCC3)CC2)nc2ccccc12
InChIInChI=1S/C19H26N4O2S/c1-15-17-7-3-4-8-18(17)21-19(20-15)22-13-9-16(10-14-22)26(24,25)23-11-5-2-6-12-23/h3-4,7-8,16H,2,5-6,9-14H2,1H3
InChIKeyAOUCVGUCWHYJRQ-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline?
The IUPAC name of 4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline (CID 146106523) is 4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline?
The canonical SMILES for 4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline is Cc1nc(N2CCC(S(=O)(=O)N3CCCCC3)CC2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline?
The InChIKey is AOUCVGUCWHYJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-15-17-7-3-4-8-18(17)21-19(20-15)22-13-9-16(10-14-22)26(24,25)23-11-5-2-6-12-23/h3-4,7-8,16H,2,5-6,9-14H2,1H3.
What are the key properties of 4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline?
4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline has a molecular weight of 374.51 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 146106523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).