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

C23H26N2O5 — CID 22422723

IUPACN-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12
InChIInChI=1S/C23H26N2O5/c1-6-25-14-17(15-12-20(28-4)21(29-5)13-16(15)23(25)27)22(26)24(3)18-10-8-9-11-19(18)30-7-2/h8-14H,6-7H2,1-5H3
InChIKeyXFDIQIOXJYKQNB-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.71
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 22422723) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID22422723
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12
InChIInChI=1S/C23H26N2O5/c1-6-25-14-17(15-12-20(28-4)21(29-5)13-16(15)23(25)27)22(26)24(3)18-10-8-9-11-19(18)30-7-2/h8-14H,6-7H2,1-5H3
InChIKeyXFDIQIOXJYKQNB-UHFFFAOYSA-N
XLogP3.71
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22334293
N-[2-(dimethylamino)ethyl]-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 71566155
N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22549553
N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22334282
6,7-dimethoxy-N-methyl-N-(3-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 5322520
2-[(2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl)amino]benzoic acid
CID 129111234
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707
2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide
CID 71565543
N-(3-acetamidophenyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 3237553
N-(cyclohexylmethyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566300
N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 22334277
N-(2,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 15992906

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide (CID 22422723) is N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide is CCOc1ccccc1N(C)C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12.
What is the InChIKey of N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is XFDIQIOXJYKQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-6-25-14-17(15-12-20(28-4)21(29-5)13-16(15)23(25)27)22(26)24(3)18-10-8-9-11-19(18)30-7-2/h8-14H,6-7H2,1-5H3.
What are the key properties of N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide?
N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22422723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).