N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide

C26H30N2O4 — CID 67088107

IUPACN-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide
SMILESCOc1c(C)cc(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)cc1C
InChIInChI=1S/C26H30N2O4/c1-16-14-19(15-17(2)23(16)32-3)24(29)27-22-11-7-10-21-20(22)12-13-28(26(21)31)25(30)18-8-5-4-6-9-18/h7,10-15,18,25,30H,4-6,8-9H2,1-3H3,(H,27,29)
InChIKeyHCCAEZLSNQPVSX-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.95
Rot. Bonds5

About N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide

N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide (PubChem CID 67088107) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide
PubChem CID67088107
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide
SMILESCOc1c(C)cc(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)cc1C
InChIInChI=1S/C26H30N2O4/c1-16-14-19(15-17(2)23(16)32-3)24(29)27-22-11-7-10-21-20(22)12-13-28(26(21)31)25(30)18-8-5-4-6-9-18/h7,10-15,18,25,30H,4-6,8-9H2,1-3H3,(H,27,29)
InChIKeyHCCAEZLSNQPVSX-UHFFFAOYSA-N
XLogP4.95
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide (CID 67088107) is N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide is COc1c(C)cc(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)cc1C.
What is the InChIKey of N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide?
The InChIKey is HCCAEZLSNQPVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-16-14-19(15-17(2)23(16)32-3)24(29)27-22-11-7-10-21-20(22)12-13-28(26(21)31)25(30)18-8-5-4-6-9-18/h7,10-15,18,25,30H,4-6,8-9H2,1-3H3,(H,27,29).
What are the key properties of N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide?
N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide has a molecular weight of 434.54 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide is sourced from PubChem (CID 67088107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).