N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide

C16H18N2O2 — CID 152967795

IUPACN-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2c(=O)[nH]ccc2c1)C1CCCCC1
InChIInChI=1S/C16H18N2O2/c19-15(11-4-2-1-3-5-11)18-13-6-7-14-12(10-13)8-9-17-16(14)20/h6-11H,1-5H2,(H,17,20)(H,18,19)
InChIKeyURWGASCNKZQJMU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.05
Rot. Bonds2

About N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide

N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide (PubChem CID 152967795) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
PubChem CID152967795
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2c(=O)[nH]ccc2c1)C1CCCCC1
InChIInChI=1S/C16H18N2O2/c19-15(11-4-2-1-3-5-11)18-13-6-7-14-12(10-13)8-9-17-16(14)20/h6-11H,1-5H2,(H,17,20)(H,18,19)
InChIKeyURWGASCNKZQJMU-UHFFFAOYSA-N
XLogP3.05
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
2-cyclohexyl-4-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)butanamide
CID 46185121
N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide
CID 155952939
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
CID 68873416
2-fluoro-N-(1-oxo-2H-isoquinolin-6-yl)-2-pyrrolidin-3-ylacetamide
CID 167977687
2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
CID 155952448
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
6-[(1-cyclohexylpyrrolidin-3-yl)amino]-2H-isoquinolin-1-one
CID 68593098
N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide
CID 164882572
N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
CID 17172079
6-(azepan-4-ylamino)-2H-isoquinolin-1-one
CID 59290710

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide (CID 152967795) is N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide is O=C(Nc1ccc2c(=O)[nH]ccc2c1)C1CCCCC1.
What is the InChIKey of N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide?
The InChIKey is URWGASCNKZQJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15(11-4-2-1-3-5-11)18-13-6-7-14-12(10-13)8-9-17-16(14)20/h6-11H,1-5H2,(H,17,20)(H,18,19).
What are the key properties of N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide?
N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide has a molecular weight of 270.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 152967795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).