N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide

C18H22N2O2 — CID 22334244

IUPACN-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)NC1CCCCCC1
InChIInChI=1S/C18H22N2O2/c21-17(19-15-8-3-1-2-4-9-15)13-20-12-11-14-7-5-6-10-16(14)18(20)22/h5-7,10-12,15H,1-4,8-9,13H2,(H,19,21)
InChIKeyQKSKAIBADVLTLG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.84
Rot. Bonds3

About N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide

N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 22334244) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID22334244
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)NC1CCCCCC1
InChIInChI=1S/C18H22N2O2/c21-17(19-15-8-3-1-2-4-9-15)13-20-12-11-14-7-5-6-10-16(14)18(20)22/h5-7,10-12,15H,1-4,8-9,13H2,(H,19,21)
InChIKeyQKSKAIBADVLTLG-UHFFFAOYSA-N
XLogP2.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354452
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111836
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568
N-cyclopentyl-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 50795598
N-cyclohexyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 9046933
N-cycloheptyl-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680359
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
CID 18525531
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide (CID 22334244) is N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide is O=C(Cn1ccc2ccccc2c1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is QKSKAIBADVLTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17(19-15-8-3-1-2-4-9-15)13-20-12-11-14-7-5-6-10-16(14)18(20)22/h5-7,10-12,15H,1-4,8-9,13H2,(H,19,21).
What are the key properties of N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide?
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 22334244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).