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

C23H32N4O4S — CID 15994632

IUPACN-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)NC4CCCCCC4)c(=O)c3c2)CC1
InChIInChI=1S/C23H32N4O4S/c1-17-10-12-27(13-11-17)32(30,31)19-8-9-21-20(14-19)23(29)26(16-24-21)15-22(28)25-18-6-4-2-3-5-7-18/h8-9,14,16-18H,2-7,10-13,15H2,1H3,(H,25,28)
InChIKeyCWJVAHZKHUVIDG-UHFFFAOYSA-N
MW460.60 g/mol
LogP2.66
Rot. Bonds5

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

N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide (PubChem CID 15994632) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
PubChem CID15994632
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)NC4CCCCCC4)c(=O)c3c2)CC1
InChIInChI=1S/C23H32N4O4S/c1-17-10-12-27(13-11-17)32(30,31)19-8-9-21-20(14-19)23(29)26(16-24-21)15-22(28)25-18-6-4-2-3-5-7-18/h8-9,14,16-18H,2-7,10-13,15H2,1H3,(H,25,28)
InChIKeyCWJVAHZKHUVIDG-UHFFFAOYSA-N
XLogP2.66
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide (CID 15994632) is N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide is CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)NC4CCCCCC4)c(=O)c3c2)CC1.
What is the InChIKey of N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is CWJVAHZKHUVIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-17-10-12-27(13-11-17)32(30,31)19-8-9-21-20(14-19)23(29)26(16-24-21)15-22(28)25-18-6-4-2-3-5-7-18/h8-9,14,16-18H,2-7,10-13,15H2,1H3,(H,25,28).
What are the key properties of N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?
N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 460.60 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 15994632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).