N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide

C20H19N3O2 — CID 110862406

IUPACN-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cc2ccccc2cn1
InChIInChI=1S/C20H19N3O2/c24-20(18-13-15-5-1-2-6-16(15)14-21-18)22-17-7-3-4-8-19(17)23-9-11-25-12-10-23/h1-8,13-14H,9-12H2,(H,22,24)
InChIKeyZYGIUSWPMKADBZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.32
Rot. Bonds3

About N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide

N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide (PubChem CID 110862406) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
PubChem CID110862406
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cc2ccccc2cn1
InChIInChI=1S/C20H19N3O2/c24-20(18-13-15-5-1-2-6-16(15)14-21-18)22-17-7-3-4-8-19(17)23-9-11-25-12-10-23/h1-8,13-14H,9-12H2,(H,22,24)
InChIKeyZYGIUSWPMKADBZ-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(tert-butylamino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109195247
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 109275329
4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109219045
N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619064
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
4-N,4-N-diethyl-2-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088856
N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110862325
1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110425327
2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109313668

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide (CID 110862406) is N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1cc2ccccc2cn1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide?
The InChIKey is ZYGIUSWPMKADBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(18-13-15-5-1-2-6-16(15)14-21-18)22-17-7-3-4-8-19(17)23-9-11-25-12-10-23/h1-8,13-14H,9-12H2,(H,22,24).
What are the key properties of N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide?
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 110862406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).