7-fluoroisoquinoline-1-carboxamide

C10H7FN2O — CID 82573928

IUPAC7-fluoroisoquinoline-1-carboxamide
SMILESNC(=O)c1nccc2ccc(F)cc12
InChIInChI=1S/C10H7FN2O/c11-7-2-1-6-3-4-13-9(10(12)14)8(6)5-7/h1-5H,(H2,12,14)
InChIKeyYTNONVFXLVVWPD-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.47
Rot. Bonds1

About 7-fluoroisoquinoline-1-carboxamide

7-fluoroisoquinoline-1-carboxamide (PubChem CID 82573928) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 7-fluoroisoquinoline-1-carboxamide.

Molecular Properties

Compound Name7-fluoroisoquinoline-1-carboxamide
PubChem CID82573928
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name7-fluoroisoquinoline-1-carboxamide
SMILESNC(=O)c1nccc2ccc(F)cc12
InChIInChI=1S/C10H7FN2O/c11-7-2-1-6-3-4-13-9(10(12)14)8(6)5-7/h1-5H,(H2,12,14)
InChIKeyYTNONVFXLVVWPD-UHFFFAOYSA-N
XLogP1.47
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-chloro-5-fluorophenyl)isoquinoline-1-carboxamide
CID 71115223
methyl 7-fluoroisoquinoline-1-carboxylate
CID 82572059
2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571590
(1-carbamoylisoquinolin-7-yl)phosphonic acid
CID 67942109
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
2-(1-carbamoylisoquinolin-7-yl)ethoxy-hydroxy-oxophosphanium
CID 67942133
3-(7-fluoroisoquinolin-1-yl)propanoic acid
CID 82577889
7-[5-fluoro-4-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinoline-1-carboxamide
CID 71115852
(E)-3-(7-fluoroisoquinolin-1-yl)prop-2-enoic acid
CID 82580117
6-fluoro-2-methylquinazoline-4-carboxamide
CID 171383958
3-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 69179309
1-(7-fluoroisoquinolin-1-yl)ethanamine
CID 82575695

Frequently Asked Questions

What is the IUPAC name of 7-fluoroisoquinoline-1-carboxamide?
The IUPAC name of 7-fluoroisoquinoline-1-carboxamide (CID 82573928) is 7-fluoroisoquinoline-1-carboxamide.
What is the SMILES notation for 7-fluoroisoquinoline-1-carboxamide?
The canonical SMILES for 7-fluoroisoquinoline-1-carboxamide is NC(=O)c1nccc2ccc(F)cc12.
What is the InChIKey of 7-fluoroisoquinoline-1-carboxamide?
The InChIKey is YTNONVFXLVVWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-7-2-1-6-3-4-13-9(10(12)14)8(6)5-7/h1-5H,(H2,12,14).
What are the key properties of 7-fluoroisoquinoline-1-carboxamide?
7-fluoroisoquinoline-1-carboxamide has a molecular weight of 190.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoroisoquinoline-1-carboxamide is sourced from PubChem (CID 82573928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).