9-fluoro-3,8-dimethylbenzo[h]isoquinoline

C15H12FN — CID 59928925

IUPAC9-fluoro-3,8-dimethylbenzo[h]isoquinoline
SMILESCc1cc2ccc3cc(C)c(F)cc3c2cn1
InChIInChI=1S/C15H12FN/c1-9-5-11-3-4-12-6-10(2)17-8-14(12)13(11)7-15(9)16/h3-8H,1-2H3
InChIKeyGAOMTVACCIXMSE-UHFFFAOYSA-N
MW225.27 g/mol
LogP4.14
Rot. Bonds

About 9-fluoro-3,8-dimethylbenzo[h]isoquinoline

9-fluoro-3,8-dimethylbenzo[h]isoquinoline (PubChem CID 59928925) has the molecular formula C15H12FN and a molecular weight of 225.27 g/mol. Its IUPAC name is 9-fluoro-3,8-dimethylbenzo[h]isoquinoline.

Molecular Properties

Compound Name9-fluoro-3,8-dimethylbenzo[h]isoquinoline
PubChem CID59928925
Molecular FormulaC15H12FN
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name9-fluoro-3,8-dimethylbenzo[h]isoquinoline
SMILESCc1cc2ccc3cc(C)c(F)cc3c2cn1
InChIInChI=1S/C15H12FN/c1-9-5-11-3-4-12-6-10(2)17-8-14(12)13(11)7-15(9)16/h3-8H,1-2H3
InChIKeyGAOMTVACCIXMSE-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7,8-difluoro-3-methylisoquinoline
CID 169499830
3,7,8-trimethylisoquinoline
CID 155669978
1,9-difluoro-3,8-dimethylbenzo[h]isoquinoline
CID 59928913
2,9-dimethyl-3,8-phenanthroline
CID 132510988
azane;3,8-dimethylisoquinoline
CID 175090064
6,7-difluoro-3-methylisoquinoline
CID 20616781
7-fluoro-2,6-dimethylquinoline
CID 143814242
3-methyl-7,8,9,10-tetrahydrobenzo[h]isoquinoline
CID 156549162
5-chloro-8-fluoro-3-methylisoquinoline
CID 169494899
3-methyl-7-pyridin-2-yl-2,8-phenanthroline
CID 168852602
7-fluoro-6-methylisoquinoline
CID 21300598
2-bromo-7-fluoro-6-methylquinoline
CID 102941278

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3,8-dimethylbenzo[h]isoquinoline?
The IUPAC name of 9-fluoro-3,8-dimethylbenzo[h]isoquinoline (CID 59928925) is 9-fluoro-3,8-dimethylbenzo[h]isoquinoline.
What is the SMILES notation for 9-fluoro-3,8-dimethylbenzo[h]isoquinoline?
The canonical SMILES for 9-fluoro-3,8-dimethylbenzo[h]isoquinoline is Cc1cc2ccc3cc(C)c(F)cc3c2cn1.
What is the InChIKey of 9-fluoro-3,8-dimethylbenzo[h]isoquinoline?
The InChIKey is GAOMTVACCIXMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN/c1-9-5-11-3-4-12-6-10(2)17-8-14(12)13(11)7-15(9)16/h3-8H,1-2H3.
What are the key properties of 9-fluoro-3,8-dimethylbenzo[h]isoquinoline?
9-fluoro-3,8-dimethylbenzo[h]isoquinoline has a molecular weight of 225.27 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3,8-dimethylbenzo[h]isoquinoline is sourced from PubChem (CID 59928925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).