4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid

C15H18N4O4S — CID 71895342

IUPAC4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid
SMILESCS(=O)(=O)NC1CCN(c2nc(C(=O)O)nc3ccccc23)CC1
InChIInChI=1S/C15H18N4O4S/c1-24(22,23)18-10-6-8-19(9-7-10)14-11-4-2-3-5-12(11)16-13(17-14)15(20)21/h2-5,10,18H,6-9H2,1H3,(H,20,21)
InChIKeyIZKRANQYWDMHRG-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.85
Rot. Bonds4

About 4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid

4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid (PubChem CID 71895342) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid
PubChem CID71895342
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid
SMILESCS(=O)(=O)NC1CCN(c2nc(C(=O)O)nc3ccccc23)CC1
InChIInChI=1S/C15H18N4O4S/c1-24(22,23)18-10-6-8-19(9-7-10)14-11-4-2-3-5-12(11)16-13(17-14)15(20)21/h2-5,10,18H,6-9H2,1H3,(H,20,21)
InChIKeyIZKRANQYWDMHRG-UHFFFAOYSA-N
XLogP0.85
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid (CID 71895342) is 4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid is CS(=O)(=O)NC1CCN(c2nc(C(=O)O)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid?
The InChIKey is IZKRANQYWDMHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-24(22,23)18-10-6-8-19(9-7-10)14-11-4-2-3-5-12(11)16-13(17-14)15(20)21/h2-5,10,18H,6-9H2,1H3,(H,20,21).
What are the key properties of 4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid?
4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid has a molecular weight of 350.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid is sourced from PubChem (CID 71895342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).