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

C22H30N4O4S — CID 22334264

IUPACN-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)NC4CCCCC4)c(=O)c3c2)CC1
InChIInChI=1S/C22H30N4O4S/c1-16-9-11-26(12-10-16)31(29,30)18-7-8-20-19(13-18)22(28)25(15-23-20)14-21(27)24-17-5-3-2-4-6-17/h7-8,13,15-17H,2-6,9-12,14H2,1H3,(H,24,27)
InChIKeyCNGZBJXDZSRNDW-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.27
Rot. Bonds5

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

N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide (PubChem CID 22334264) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
PubChem CID22334264
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC NameN-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)NC4CCCCC4)c(=O)c3c2)CC1
InChIInChI=1S/C22H30N4O4S/c1-16-9-11-26(12-10-16)31(29,30)18-7-8-20-19(13-18)22(28)25(15-23-20)14-21(27)24-17-5-3-2-4-6-17/h7-8,13,15-17H,2-6,9-12,14H2,1H3,(H,24,27)
InChIKeyCNGZBJXDZSRNDW-UHFFFAOYSA-N
XLogP2.27
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide (CID 22334264) is N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide is CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)NC4CCCCC4)c(=O)c3c2)CC1.
What is the InChIKey of N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is CNGZBJXDZSRNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-16-9-11-26(12-10-16)31(29,30)18-7-8-20-19(13-18)22(28)25(15-23-20)14-21(27)24-17-5-3-2-4-6-17/h7-8,13,15-17H,2-6,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 446.57 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 22334264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).