N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide

C24H28N4O4S — CID 3245909

IUPACN-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N(C)Cc4ccccc4)c(=O)c3c2)CC1
InChIInChI=1S/C24H28N4O4S/c1-18-10-12-28(13-11-18)33(31,32)20-8-9-22-21(14-20)24(30)27(17-25-22)16-23(29)26(2)15-19-6-4-3-5-7-19/h3-9,14,17-18H,10-13,15-16H2,1-2H3
InChIKeyQDIQCYIMBLXPFL-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.48
Rot. Bonds6

About N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide

N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide (PubChem CID 3245909) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
PubChem CID3245909
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N(C)Cc4ccccc4)c(=O)c3c2)CC1
InChIInChI=1S/C24H28N4O4S/c1-18-10-12-28(13-11-18)33(31,32)20-8-9-22-21(14-20)24(30)27(17-25-22)16-23(29)26(2)15-19-6-4-3-5-7-19/h3-9,14,17-18H,10-13,15-16H2,1-2H3
InChIKeyQDIQCYIMBLXPFL-UHFFFAOYSA-N
XLogP2.48
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide (CID 3245909) is N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide is CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N(C)Cc4ccccc4)c(=O)c3c2)CC1.
What is the InChIKey of N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is QDIQCYIMBLXPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-18-10-12-28(13-11-18)33(31,32)20-8-9-22-21(14-20)24(30)27(17-25-22)16-23(29)26(2)15-19-6-4-3-5-7-19/h3-9,14,17-18H,10-13,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 3245909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).