N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide

C22H32N2O2 — CID 20885771

IUPACN-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide
SMILESCCCN1C(=O)c2ccccc2CC1(C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C22H32N2O2/c1-3-15-24-20(25)19-14-10-9-11-17(19)16-22(24,2)21(26)23-18-12-7-5-4-6-8-13-18/h9-11,14,18H,3-8,12-13,15-16H2,1-2H3,(H,23,26)
InChIKeyHSXIOEGKIBSBOD-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.08
Rot. Bonds4

About N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide

N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide (PubChem CID 20885771) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide
PubChem CID20885771
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide
SMILESCCCN1C(=O)c2ccccc2CC1(C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C22H32N2O2/c1-3-15-24-20(25)19-14-10-9-11-17(19)16-22(24,2)21(26)23-18-12-7-5-4-6-8-13-18/h9-11,14,18H,3-8,12-13,15-16H2,1-2H3,(H,23,26)
InChIKeyHSXIOEGKIBSBOD-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-3-methyl-1-oxo-2-(2-phenylethyl)-4H-isoquinoline-3-carboxamide
CID 20885762
(3S)-2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668065
(3S)-2-benzyl-N-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92701404
(3S)-2-[(2-chlorophenyl)methyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668043
N-cycloheptyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 20885745
(3S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92734756
(3R)-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92667984
(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668090
N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 46260775
2-cyclohexyl-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 20885760
(3S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 92734753
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739922

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide?
The IUPAC name of N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide (CID 20885771) is N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide?
The canonical SMILES for N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide is CCCN1C(=O)c2ccccc2CC1(C)C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide?
The InChIKey is HSXIOEGKIBSBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-15-24-20(25)19-14-10-9-11-17(19)16-22(24,2)21(26)23-18-12-7-5-4-6-8-13-18/h9-11,14,18H,3-8,12-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide?
N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide is sourced from PubChem (CID 20885771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).