N-(2-fluorophenyl)isoquinoline-6-carboxamide

C16H11FN2O — CID 110485150

IUPACN-(2-fluorophenyl)isoquinoline-6-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2cnccc2c1
InChIInChI=1S/C16H11FN2O/c17-14-3-1-2-4-15(14)19-16(20)12-5-6-13-10-18-8-7-11(13)9-12/h1-10H,(H,19,20)
InChIKeyPKLWYAXTHOCJSE-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.63
Rot. Bonds2

About N-(2-fluorophenyl)isoquinoline-6-carboxamide

N-(2-fluorophenyl)isoquinoline-6-carboxamide (PubChem CID 110485150) has the molecular formula C16H11FN2O and a molecular weight of 266.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)isoquinoline-6-carboxamide
PubChem CID110485150
Molecular FormulaC16H11FN2O
Molecular Weight266.27 g/mol
Exact Mass266.09
IUPAC NameN-(2-fluorophenyl)isoquinoline-6-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2cnccc2c1
InChIInChI=1S/C16H11FN2O/c17-14-3-1-2-4-15(14)19-16(20)12-5-6-13-10-18-8-7-11(13)9-12/h1-10H,(H,19,20)
InChIKeyPKLWYAXTHOCJSE-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-fluorophenyl)isoquinoline-6-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-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
2,6-difluoro-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 148924135
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
4-amino-3-fluoro-N-isoquinolin-5-ylbenzamide
CID 62677576
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055208
5-N-(2-fluorophenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108683
N-ethylisoquinoline-6-carboxamide
CID 110485080
N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 798045
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
N-(3-hydroxypropyl)isoquinoline-6-carboxamide
CID 110485097

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)isoquinoline-6-carboxamide?
The IUPAC name of N-(2-fluorophenyl)isoquinoline-6-carboxamide (CID 110485150) is N-(2-fluorophenyl)isoquinoline-6-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)isoquinoline-6-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)isoquinoline-6-carboxamide is O=C(Nc1ccccc1F)c1ccc2cnccc2c1.
What is the InChIKey of N-(2-fluorophenyl)isoquinoline-6-carboxamide?
The InChIKey is PKLWYAXTHOCJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-14-3-1-2-4-15(14)19-16(20)12-5-6-13-10-18-8-7-11(13)9-12/h1-10H,(H,19,20).
What are the key properties of N-(2-fluorophenyl)isoquinoline-6-carboxamide?
N-(2-fluorophenyl)isoquinoline-6-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)isoquinoline-6-carboxamide is sourced from PubChem (CID 110485150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).