N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide

C27H26N2O4 — CID 22549861

IUPACN-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
SMILESCCOc1ccccc1N(CC)C(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12
InChIInChI=1S/C27H26N2O4/c1-4-28(24-15-8-9-16-25(24)33-5-2)27(31)23-18-29(19-11-10-12-20(17-19)32-3)26(30)22-14-7-6-13-21(22)23/h6-18H,4-5H2,1-3H3
InChIKeyDYHSGBRVZNDJFY-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.06
Rot. Bonds7

About N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide

N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide (PubChem CID 22549861) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
PubChem CID22549861
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
SMILESCCOc1ccccc1N(CC)C(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12
InChIInChI=1S/C27H26N2O4/c1-4-28(24-15-8-9-16-25(24)33-5-2)27(31)23-18-29(19-11-10-12-20(17-19)32-3)26(30)22-14-7-6-13-21(22)23/h6-18H,4-5H2,1-3H3
InChIKeyDYHSGBRVZNDJFY-UHFFFAOYSA-N
XLogP5.06
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-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

N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22549553
N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549573
2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980
N-(4-bromophenyl)-2-(3-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22549789
pentyl 2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092757
N-(3-ethylphenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549816
N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 6625975
methyl 4-[[2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carbonyl]amino]benzoate
CID 22549874
2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
CID 126459305
2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide
CID 22549822
2-(4-methoxyphenyl)-1-oxo-N-phenyl-N-prop-2-enylisoquinoline-4-carboxamide
CID 22549580
2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide
CID 6625931

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide (CID 22549861) is N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide is CCOc1ccccc1N(CC)C(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
The InChIKey is DYHSGBRVZNDJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-4-28(24-15-8-9-16-25(24)33-5-2)27(31)23-18-29(19-11-10-12-20(17-19)32-3)26(30)22-14-7-6-13-21(22)23/h6-18H,4-5H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22549861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).