3-fluoro-6-phenylindazolo[3,2-a]isoquinoline

C21H13FN2 — CID 56971059

IUPAC3-fluoro-6-phenylindazolo[3,2-a]isoquinoline
SMILESFc1ccc2c(c1)cc(-c1ccccc1)n1nc3ccccc3c21
InChIInChI=1S/C21H13FN2/c22-16-10-11-17-15(12-16)13-20(14-6-2-1-3-7-14)24-21(17)18-8-4-5-9-19(18)23-24/h1-13H
InChIKeyMDJMVHPJSFZISQ-UHFFFAOYSA-N
MW312.35 g/mol
LogP5.45
Rot. Bonds1

About 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline

3-fluoro-6-phenylindazolo[3,2-a]isoquinoline (PubChem CID 56971059) has the molecular formula C21H13FN2 and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline.

Molecular Properties

Compound Name3-fluoro-6-phenylindazolo[3,2-a]isoquinoline
PubChem CID56971059
Molecular FormulaC21H13FN2
Molecular Weight312.35 g/mol
Exact Mass312.11
IUPAC Name3-fluoro-6-phenylindazolo[3,2-a]isoquinoline
SMILESFc1ccc2c(c1)cc(-c1ccccc1)n1nc3ccccc3c21
InChIInChI=1S/C21H13FN2/c22-16-10-11-17-15(12-16)13-20(14-6-2-1-3-7-14)24-21(17)18-8-4-5-9-19(18)23-24/h1-13H
InChIKeyMDJMVHPJSFZISQ-UHFFFAOYSA-N
XLogP5.45
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.35
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nerispirdine
CID 3081185
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
8-fluoro-10H-indeno[1,2-b]quinolin-11-amine
CID 10060655
8-fluoro-5-(4-fluorophenyl)-2-(2-quinolin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 54586686
N-(4-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 4187113
4-(1-Phenyl-1H-pyrazol-4-YL)quinoline
CID 3525815
1-(2-Methylphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 44366622
1-(2-fluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
CID 2816010
Phenanthridine, 6-phenyl-
CID 137692
Acridine, 9-(p-fluoroanilino)-
CID 44042
3-fluoro-10H-indeno[1,2-b]quinolin-11-amine
CID 23644785
11H-Indolo[3,2-c]cinnoline
CID 5742808

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline?
The IUPAC name of 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline (CID 56971059) is 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline.
What is the SMILES notation for 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline?
The canonical SMILES for 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline is Fc1ccc2c(c1)cc(-c1ccccc1)n1nc3ccccc3c21.
What is the InChIKey of 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline?
The InChIKey is MDJMVHPJSFZISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2/c22-16-10-11-17-15(12-16)13-20(14-6-2-1-3-7-14)24-21(17)18-8-4-5-9-19(18)23-24/h1-13H.
What are the key properties of 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline?
3-fluoro-6-phenylindazolo[3,2-a]isoquinoline has a molecular weight of 312.35 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline is sourced from PubChem (CID 56971059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).