5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide

C18H14FN3O2 — CID 167909360

IUPAC5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccc2c(=O)[nH]ccc12)N1CCc2cc(F)ccc21
InChIInChI=1S/C18H14FN3O2/c19-12-4-5-16-11(10-12)7-9-22(16)18(24)21-15-3-1-2-14-13(15)6-8-20-17(14)23/h1-6,8,10H,7,9H2,(H,20,23)(H,21,24)
InChIKeyLMMSLAWJYHCBNW-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.26
Rot. Bonds1

About 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide

5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 167909360) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID167909360
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccc2c(=O)[nH]ccc12)N1CCc2cc(F)ccc21
InChIInChI=1S/C18H14FN3O2/c19-12-4-5-16-11(10-12)7-9-22(16)18(24)21-15-3-1-2-14-13(15)6-8-20-17(14)23/h1-6,8,10H,7,9H2,(H,20,23)(H,21,24)
InChIKeyLMMSLAWJYHCBNW-UHFFFAOYSA-N
XLogP3.26
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide
CID 167942706
N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 171545112
3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 167945675
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
(3R,4S)-3-cyclopropyl-4-hydroxy-N-(1-oxo-2H-isoquinolin-5-yl)pyrrolidine-1-carboxamide
CID 167901515
N-[6-bromo-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 176619961
2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide
CID 52936895
6-fluoro-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 110635094
N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 90283420

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide (CID 167909360) is 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccc2c(=O)[nH]ccc12)N1CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is LMMSLAWJYHCBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-12-4-5-16-11(10-12)7-9-22(16)18(24)21-15-3-1-2-14-13(15)6-8-20-17(14)23/h1-6,8,10H,7,9H2,(H,20,23)(H,21,24).
What are the key properties of 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide?
5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 167909360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).