N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide

C18H15FN2O — CID 52786806

IUPACN-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1nccc2ccccc12
InChIInChI=1S/C18H15FN2O/c19-15-7-5-13(6-8-15)9-11-21-18(22)17-16-4-2-1-3-14(16)10-12-20-17/h1-8,10,12H,9,11H2,(H,21,22)
InChIKeyFYTXYTXJHYUIPQ-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.35
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide

N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide (PubChem CID 52786806) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
PubChem CID52786806
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1nccc2ccccc12
InChIInChI=1S/C18H15FN2O/c19-15-7-5-13(6-8-15)9-11-21-18(22)17-16-4-2-1-3-14(16)10-12-20-17/h1-8,10,12H,9,11H2,(H,21,22)
InChIKeyFYTXYTXJHYUIPQ-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide
CID 68506824
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 107487027
N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride
CID 162171577
N-[2-(4-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110694769
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
N-(6-bromohexyl)isoquinoline-1-carboxamide
CID 107847868
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide (CID 52786806) is N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide is O=C(NCCc1ccc(F)cc1)c1nccc2ccccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide?
The InChIKey is FYTXYTXJHYUIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-15-7-5-13(6-8-15)9-11-21-18(22)17-16-4-2-1-3-14(16)10-12-20-17/h1-8,10,12H,9,11H2,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide?
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 52786806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).