N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide

C22H25FN2O2 — CID 120882466

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide
SMILESCc1ccc(C2OCCCC2C(=O)Nc2ccc3c(c2F)CCNC3)cc1
InChIInChI=1S/C22H25FN2O2/c1-14-4-6-15(7-5-14)21-18(3-2-12-27-21)22(26)25-19-9-8-16-13-24-11-10-17(16)20(19)23/h4-9,18,21,24H,2-3,10-13H2,1H3,(H,25,26)
InChIKeyQQIKPGQIYNYWIU-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.89
Rot. Bonds3

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide (PubChem CID 120882466) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide
PubChem CID120882466
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide
SMILESCc1ccc(C2OCCCC2C(=O)Nc2ccc3c(c2F)CCNC3)cc1
InChIInChI=1S/C22H25FN2O2/c1-14-4-6-15(7-5-14)21-18(3-2-12-27-21)22(26)25-19-9-8-16-13-24-11-10-17(16)20(19)23/h4-9,18,21,24H,2-3,10-13H2,1H3,(H,25,26)
InChIKeyQQIKPGQIYNYWIU-UHFFFAOYSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-2-carboxamide
CID 120882416
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
CID 120882858
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide
CID 120883246
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120881530
2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
CID 119425325
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 120881587
2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide
CID 120881626
(2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
CID 96565010
(2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
CID 96565011
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120881399

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide (CID 120882466) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide is Cc1ccc(C2OCCCC2C(=O)Nc2ccc3c(c2F)CCNC3)cc1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide?
The InChIKey is QQIKPGQIYNYWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-14-4-6-15(7-5-14)21-18(3-2-12-27-21)22(26)25-19-9-8-16-13-24-11-10-17(16)20(19)23/h4-9,18,21,24H,2-3,10-13H2,1H3,(H,25,26).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide is sourced from PubChem (CID 120882466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).