2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide

C19H26N2O4 — CID 71565543

IUPAC2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide
SMILESCCCCCNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12
InChIInChI=1S/C19H26N2O4/c1-5-7-8-9-20-18(22)15-12-21(6-2)19(23)14-11-17(25-4)16(24-3)10-13(14)15/h10-12H,5-9H2,1-4H3,(H,20,22)
InChIKeyIFNFXHSIBNFKQK-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.96
Rot. Bonds8

About 2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide

2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide (PubChem CID 71565543) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide
PubChem CID71565543
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide
SMILESCCCCCNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12
InChIInChI=1S/C19H26N2O4/c1-5-7-8-9-20-18(22)15-12-21(6-2)19(23)14-11-17(25-4)16(24-3)10-13(14)15/h10-12H,5-9H2,1-4H3,(H,20,22)
InChIKeyIFNFXHSIBNFKQK-UHFFFAOYSA-N
XLogP2.96
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(cyclopropylmethyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566389
N-(cyclopropylmethyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566629
N-(cyclohexylmethyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566300
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707
N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422524
N-[3-(4-ethylpiperazin-1-yl)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 15996107
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
N-(2,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 15992906
N-(3-acetamidophenyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 3237553
2-[(2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl)amino]benzoic acid
CID 129111234
N-[2-(dimethylamino)ethyl]-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 71566155
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide?
The IUPAC name of 2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide (CID 71565543) is 2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide.
What is the SMILES notation for 2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide?
The canonical SMILES for 2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide is CCCCCNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12.
What is the InChIKey of 2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide?
The InChIKey is IFNFXHSIBNFKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-7-8-9-20-18(22)15-12-21(6-2)19(23)14-11-17(25-4)16(24-3)10-13(14)15/h10-12H,5-9H2,1-4H3,(H,20,22).
What are the key properties of 2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide?
2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide is sourced from PubChem (CID 71565543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).