N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide

C27H32N2O5 — CID 5224935

IUPACN-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
SMILESCCOc1ccc(-n2cc(C(=O)NC3CCCCCC3)c3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C27H32N2O5/c1-4-34-20-13-11-19(12-14-20)29-17-23(26(30)28-18-9-7-5-6-8-10-18)21-15-24(32-2)25(33-3)16-22(21)27(29)31/h11-18H,4-10H2,1-3H3,(H,28,30)
InChIKeyQRLLLELCDDKVTH-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.86
Rot. Bonds7

About N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide

N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide (PubChem CID 5224935) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
PubChem CID5224935
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC NameN-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
SMILESCCOc1ccc(-n2cc(C(=O)NC3CCCCCC3)c3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C27H32N2O5/c1-4-34-20-13-11-19(12-14-20)29-17-23(26(30)28-18-9-7-5-6-8-10-18)21-15-24(32-2)25(33-3)16-22(21)27(29)31/h11-18H,4-10H2,1-3H3,(H,28,30)
InChIKeyQRLLLELCDDKVTH-UHFFFAOYSA-N
XLogP4.86
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[[(2S)-oxolan-2-yl]methyl]isoquinoline-4-carboxamide
CID 92653473
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(pyrrolidine-1-carbonyl)isoquinolin-1-one
CID 4695030
N-(2,6-difluorophenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 4694947
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-methylpiperazin-4-ium-1-carbonyl)isoquinolin-1-one
CID 3287682
N-cycloheptyl-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide
CID 4571848
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide
CID 7548967
N-cyclohexyl-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91945533
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide (CID 5224935) is N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide is CCOc1ccc(-n2cc(C(=O)NC3CCCCCC3)c3cc(OC)c(OC)cc3c2=O)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
The InChIKey is QRLLLELCDDKVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-4-34-20-13-11-19(12-14-20)29-17-23(26(30)28-18-9-7-5-6-8-10-18)21-15-24(32-2)25(33-3)16-22(21)27(29)31/h11-18H,4-10H2,1-3H3,(H,28,30).
What are the key properties of N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide has a molecular weight of 464.56 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 5224935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).