3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide

C24H24N4O3 — CID 68519679

IUPAC3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide
SMILESCOc1ccc2c(C(=O)NCCN3CCOCC3)nc(C#N)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H24N4O3/c1-30-18-7-8-19-20(15-18)22(17-5-3-2-4-6-17)21(16-25)27-23(19)24(29)26-9-10-28-11-13-31-14-12-28/h2-8,15H,9-14H2,1H3,(H,26,29)
InChIKeyQCTSVOUUUNQIJE-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.84
Rot. Bonds6

About 3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide

3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide (PubChem CID 68519679) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide.

Molecular Properties

Compound Name3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide
PubChem CID68519679
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide
SMILESCOc1ccc2c(C(=O)NCCN3CCOCC3)nc(C#N)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H24N4O3/c1-30-18-7-8-19-20(15-18)22(17-5-3-2-4-6-17)21(16-25)27-23(19)24(29)26-9-10-28-11-13-31-14-12-28/h2-8,15H,9-14H2,1H3,(H,26,29)
InChIKeyQCTSVOUUUNQIJE-UHFFFAOYSA-N
XLogP2.84
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 4053675
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
CID 4588029
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide?
The IUPAC name of 3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide (CID 68519679) is 3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide.
What is the SMILES notation for 3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide?
The canonical SMILES for 3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide is COc1ccc2c(C(=O)NCCN3CCOCC3)nc(C#N)c(-c3ccccc3)c2c1.
What is the InChIKey of 3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide?
The InChIKey is QCTSVOUUUNQIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-18-7-8-19-20(15-18)22(17-5-3-2-4-6-17)21(16-25)27-23(19)24(29)26-9-10-28-11-13-31-14-12-28/h2-8,15H,9-14H2,1H3,(H,26,29).
What are the key properties of 3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide?
3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-methoxy-N-(2-morpholin-4-ylethyl)-4-phenylisoquinoline-1-carboxamide is sourced from PubChem (CID 68519679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).