N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide

C22H23N3O4 — CID 47078974

IUPACN-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2ccccc2c(OC)n1
InChIInChI=1S/C22H23N3O4/c1-4-25(14-20(26)23-17-11-7-8-12-19(17)28-2)22(27)18-13-15-9-5-6-10-16(15)21(24-18)29-3/h5-13H,4,14H2,1-3H3,(H,23,26)
InChIKeyWWQVGECFDZTTBJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.35
Rot. Bonds7

About N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide

N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide (PubChem CID 47078974) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide
PubChem CID47078974
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2ccccc2c(OC)n1
InChIInChI=1S/C22H23N3O4/c1-4-25(14-20(26)23-17-11-7-8-12-19(17)28-2)22(27)18-13-15-9-5-6-10-16(15)21(24-18)29-3/h5-13H,4,14H2,1-3H3,(H,23,26)
InChIKeyWWQVGECFDZTTBJ-UHFFFAOYSA-N
XLogP3.35
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
CID 46563290
N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide
CID 51095483
2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 38794518
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-1H-indole-2-carboxamide
CID 134002686
5-chloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38805224
(2R)-2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119267268
2-anthracen-9-yl-N-(2-methoxyphenyl)acetamide
CID 102391843
(3R)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 40974799
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-phenylmethoxybenzamide
CID 27741024
N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46563245
N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 26355956
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide?
The IUPAC name of N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide (CID 47078974) is N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2ccccc2c(OC)n1.
What is the InChIKey of N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide?
The InChIKey is WWQVGECFDZTTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-25(14-20(26)23-17-11-7-8-12-19(17)28-2)22(27)18-13-15-9-5-6-10-16(15)21(24-18)29-3/h5-13H,4,14H2,1-3H3,(H,23,26).
What are the key properties of N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide?
N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide is sourced from PubChem (CID 47078974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).