N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide

C23H25N3O2 — CID 46360307

IUPACN-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCOCC2)c2ccccc12)c1cccc(C)c1
InChIInChI=1S/C23H25N3O2/c1-3-26(18-8-6-7-17(2)15-18)23(27)21-16-24-22(25-11-13-28-14-12-25)20-10-5-4-9-19(20)21/h4-10,15-16H,3,11-14H2,1-2H3
InChIKeyFDTDCJOVYYJSJL-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.05
Rot. Bonds4

About N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide

N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide (PubChem CID 46360307) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
PubChem CID46360307
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCOCC2)c2ccccc12)c1cccc(C)c1
InChIInChI=1S/C23H25N3O2/c1-3-26(18-8-6-7-17(2)15-18)23(27)21-16-24-22(25-11-13-28-14-12-25)20-10-5-4-9-19(20)21/h4-10,15-16H,3,11-14H2,1-2H3
InChIKeyFDTDCJOVYYJSJL-UHFFFAOYSA-N
XLogP4.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-methylphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103874
N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 50841164
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
N-ethyl-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083104
ethyl 3-[(1-morpholin-4-ylisoquinoline-4-carbonyl)amino]benzoate
CID 46360319
N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360327
N-ethyl-6-methyl-4-(methylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81237902
N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360297
N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186597
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366440

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide (CID 46360307) is N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide is CCN(C(=O)c1cnc(N2CCOCC2)c2ccccc12)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
The InChIKey is FDTDCJOVYYJSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-26(18-8-6-7-17(2)15-18)23(27)21-16-24-22(25-11-13-28-14-12-25)20-10-5-4-9-19(20)21/h4-10,15-16H,3,11-14H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide is sourced from PubChem (CID 46360307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).