N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide

C22H23N3O3 — CID 46360297

IUPACN-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C22H23N3O3/c1-2-28-17-9-7-16(8-10-17)24-22(26)20-15-23-21(25-11-13-27-14-12-25)19-6-4-3-5-18(19)20/h3-10,15H,2,11-14H2,1H3,(H,24,26)
InChIKeyRXYNDNZKKZSYOA-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.72
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide

N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide (PubChem CID 46360297) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
PubChem CID46360297
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C22H23N3O3/c1-2-28-17-9-7-16(8-10-17)24-22(26)20-15-23-21(25-11-13-27-14-12-25)19-6-4-3-5-18(19)20/h3-10,15H,2,11-14H2,1H3,(H,24,26)
InChIKeyRXYNDNZKKZSYOA-UHFFFAOYSA-N
XLogP3.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(1-morpholin-4-ylisoquinoline-4-carbonyl)amino]benzoate
CID 46360319
N-(4-ethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886408
N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360327
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide
CID 46360377
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365450
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
N-(3-chlorophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174520
N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419
4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 53490821

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide (CID 46360297) is N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide is CCOc1ccc(NC(=O)c2cnc(N3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
The InChIKey is RXYNDNZKKZSYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-28-17-9-7-16(8-10-17)24-22(26)20-15-23-21(25-11-13-27-14-12-25)19-6-4-3-5-18(19)20/h3-10,15H,2,11-14H2,1H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide is sourced from PubChem (CID 46360297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).