9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline

C21H10F4N2 — CID 102346546

IUPAC9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline
SMILESFc1c(F)c(F)c2c(nn3c(-c4ccccc4)cc4ccccc4c23)c1F
InChIInChI=1S/C21H10F4N2/c22-16-15-20(19(25)18(24)17(16)23)26-27-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)21(15)27/h1-10H
InChIKeyLODFFMYVOKNEKL-UHFFFAOYSA-N
MW366.32 g/mol
LogP5.86
Rot. Bonds1

About 9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline

9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline (PubChem CID 102346546) has the molecular formula C21H10F4N2 and a molecular weight of 366.32 g/mol. Its IUPAC name is 9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline.

Molecular Properties

Compound Name9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline
PubChem CID102346546
Molecular FormulaC21H10F4N2
Molecular Weight366.32 g/mol
Exact Mass366.08
IUPAC Name9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline
SMILESFc1c(F)c(F)c2c(nn3c(-c4ccccc4)cc4ccccc4c23)c1F
InChIInChI=1S/C21H10F4N2/c22-16-15-20(19(25)18(24)17(16)23)26-27-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)21(15)27/h1-10H
InChIKeyLODFFMYVOKNEKL-UHFFFAOYSA-N
XLogP5.86
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.32
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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
4-(1-Phenyl-1H-pyrazol-4-YL)quinoline
CID 3525815
Acridine, 9-(p-fluoroanilino)-
CID 44042
3-fluoro-10H-indeno[1,2-b]quinolin-11-amine
CID 23644785
8,21-Diazahexacyclo[11.8.1.114,18.02,7.09,22.021,23]tricosa-1(22),2,4,6,8,10,12,14,16,18(23)-decaene
CID 10085816
1-Ethyl-2-phenylpyrrolo[3,2-c]cinnoline
CID 12908783
6-Fluoro-4-methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
CID 44366398
1-(4-Fluorophenyl)-5-[2-(trifluoromethyl)phenyl]indazole
CID 46830504
7-Fluoro-4-(1-phenylpyrazol-4-yl)quinoline
CID 70689815
2-[(E)-2-(1H-indazol-3-yl)vinyl]quinolin-4-amine
CID 71818825

Frequently Asked Questions

What is the IUPAC name of 9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline?
The IUPAC name of 9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline (CID 102346546) is 9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline.
What is the SMILES notation for 9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline?
The canonical SMILES for 9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline is Fc1c(F)c(F)c2c(nn3c(-c4ccccc4)cc4ccccc4c23)c1F.
What is the InChIKey of 9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline?
The InChIKey is LODFFMYVOKNEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F4N2/c22-16-15-20(19(25)18(24)17(16)23)26-27-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)21(15)27/h1-10H.
What are the key properties of 9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline?
9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline has a molecular weight of 366.32 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,11,12-tetrafluoro-6-phenylindazolo[3,2-a]isoquinoline is sourced from PubChem (CID 102346546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).