2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide

C24H24F2N2O2 — CID 20970512

IUPAC2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
SMILESCCC1CCC(NC(=O)c2cn(-c3ccc(F)cc3F)c(=O)c3ccccc23)CC1
InChIInChI=1S/C24H24F2N2O2/c1-2-15-7-10-17(11-8-15)27-23(29)20-14-28(22-12-9-16(25)13-21(22)26)24(30)19-6-4-3-5-18(19)20/h3-6,9,12-15,17H,2,7-8,10-11H2,1H3,(H,27,29)
InChIKeyBUZSDMGTWUBRHQ-UHFFFAOYSA-N
MW410.46 g/mol
LogP4.97
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide

2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide (PubChem CID 20970512) has the molecular formula C24H24F2N2O2 and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
PubChem CID20970512
Molecular FormulaC24H24F2N2O2
Molecular Weight410.46 g/mol
Exact Mass410.18
IUPAC Name2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
SMILESCCC1CCC(NC(=O)c2cn(-c3ccc(F)cc3F)c(=O)c3ccccc23)CC1
InChIInChI=1S/C24H24F2N2O2/c1-2-15-7-10-17(11-8-15)27-23(29)20-14-28(22-12-9-16(25)13-21(22)26)24(30)19-6-4-3-5-18(19)20/h3-6,9,12-15,17H,2,7-8,10-11H2,1H3,(H,27,29)
InChIKeyBUZSDMGTWUBRHQ-UHFFFAOYSA-N
XLogP4.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-1-oxoisoquinoline-4-carboxamide
CID 98478101
2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 4625886
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
2-(2,4-difluorophenyl)-4-(2-methylpiperidine-1-carbonyl)isoquinolin-1-one
CID 23987235
2-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxoisoquinoline-4-carboxamide
CID 4625887
2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide
CID 23936227
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662
N-(5-chloro-2-methoxyphenyl)-2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carboxamide
CID 4623063
N-cycloheptyl-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide
CID 4571848
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
CID 114037667
5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172355

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide (CID 20970512) is 2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide is CCC1CCC(NC(=O)c2cn(-c3ccc(F)cc3F)c(=O)c3ccccc23)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide?
The InChIKey is BUZSDMGTWUBRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O2/c1-2-15-7-10-17(11-8-15)27-23(29)20-14-28(22-12-9-16(25)13-21(22)26)24(30)19-6-4-3-5-18(19)20/h3-6,9,12-15,17H,2,7-8,10-11H2,1H3,(H,27,29).
What are the key properties of 2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide?
2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 20970512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).