6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C22H26FN3O2 — CID 154871158

IUPAC6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCC(NC(=O)c1cc2c(cc1F)CCNC2)c1ccccc1N1CCOCC1
InChIInChI=1S/C22H26FN3O2/c1-15(18-4-2-3-5-21(18)26-8-10-28-11-9-26)25-22(27)19-12-17-14-24-7-6-16(17)13-20(19)23/h2-5,12-13,15,24H,6-11,14H2,1H3,(H,25,27)
InChIKeyDQNXTJMQCOPDBH-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.80
Rot. Bonds4

About 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 154871158) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID154871158
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCC(NC(=O)c1cc2c(cc1F)CCNC2)c1ccccc1N1CCOCC1
InChIInChI=1S/C22H26FN3O2/c1-15(18-4-2-3-5-21(18)26-8-10-28-11-9-26)25-22(27)19-12-17-14-24-7-6-16(17)13-20(19)23/h2-5,12-13,15,24H,6-11,14H2,1H3,(H,25,27)
InChIKeyDQNXTJMQCOPDBH-UHFFFAOYSA-N
XLogP2.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide with MolForge

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Related Compounds

1,2-dimethyl-N-[1-(2-morpholin-4-ylphenyl)ethyl]-6-oxopyridine-4-carboxamide
CID 167788244
N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide
CID 48982884
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-fluoro-5-morpholin-4-yl-2-(piperidin-4-ylamino)benzamide
CID 176888794
N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97221800
2-amino-4-(difluoromethyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-morpholin-4-ylbenzamide
CID 170630178
2-(4-hydroxyphenyl)-N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]acetamide
CID 97225853
N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 142483785
4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide
CID 97218256
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 51958351
N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 46588089
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 154871158) is 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is CC(NC(=O)c1cc2c(cc1F)CCNC2)c1ccccc1N1CCOCC1.
What is the InChIKey of 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is DQNXTJMQCOPDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15(18-4-2-3-5-21(18)26-8-10-28-11-9-26)25-22(27)19-12-17-14-24-7-6-16(17)13-20(19)23/h2-5,12-13,15,24H,6-11,14H2,1H3,(H,25,27).
What are the key properties of 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(2-morpholin-4-ylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 154871158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).