2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide

C25H25N5O4S — CID 6619032

IUPAC2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)Nc4cnc5ccccc5c4)c(=O)c3c2)CC1
InChIInChI=1S/C25H25N5O4S/c1-17-8-10-30(11-9-17)35(33,34)20-6-7-23-21(13-20)25(32)29(16-27-23)15-24(31)28-19-12-18-4-2-3-5-22(18)26-14-19/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,31)
InChIKeyGEIYMAAKFRVMAE-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.00
Rot. Bonds5

About 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide

2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide (PubChem CID 6619032) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide
PubChem CID6619032
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)Nc4cnc5ccccc5c4)c(=O)c3c2)CC1
InChIInChI=1S/C25H25N5O4S/c1-17-8-10-30(11-9-17)35(33,34)20-6-7-23-21(13-20)25(32)29(16-27-23)15-24(31)28-19-12-18-4-2-3-5-22(18)26-14-19/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,31)
InChIKeyGEIYMAAKFRVMAE-UHFFFAOYSA-N
XLogP3.00
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide?
The IUPAC name of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide (CID 6619032) is 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide is CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)Nc4cnc5ccccc5c4)c(=O)c3c2)CC1.
What is the InChIKey of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide?
The InChIKey is GEIYMAAKFRVMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-17-8-10-30(11-9-17)35(33,34)20-6-7-23-21(13-20)25(32)29(16-27-23)15-24(31)28-19-12-18-4-2-3-5-22(18)26-14-19/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,31).
What are the key properties of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide?
2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide has a molecular weight of 491.57 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide is sourced from PubChem (CID 6619032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).