8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene

C25H33F3N2O2 — CID 145071201

IUPAC8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene
SMILESCC.CC.COc1cc2ccc3c(c2cc1OC)CC(N)CN3.Fc1ccc(F)c(F)c1
InChIInChI=1S/C15H18N2O2.C6H3F3.2C2H6/c1-18-14-5-9-3-4-13-12(6-10(16)8-17-13)11(9)7-15(14)19-2;7-4-1-2-5(8)6(9)3-4;2*1-2/h3-5,7,10,17H,6,8,16H2,1-2H3;1-3H;2*1-2H3
InChIKeyAKPAZSWRYSPYRZ-UHFFFAOYSA-N
MW450.55 g/mol
LogP6.31
Rot. Bonds2

About 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene

8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene (PubChem CID 145071201) has the molecular formula C25H33F3N2O2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene.

Molecular Properties

Compound Name8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene
PubChem CID145071201
Molecular FormulaC25H33F3N2O2
Molecular Weight450.55 g/mol
Exact Mass450.25
IUPAC Name8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene
SMILESCC.CC.COc1cc2ccc3c(c2cc1OC)CC(N)CN3.Fc1ccc(F)c(F)c1
InChIInChI=1S/C15H18N2O2.C6H3F3.2C2H6/c1-18-14-5-9-3-4-13-12(6-10(16)8-17-13)11(9)7-15(14)19-2;7-4-1-2-5(8)6(9)3-4;2*1-2/h3-5,7,10,17H,6,8,16H2,1-2H3;1-3H;2*1-2H3
InChIKeyAKPAZSWRYSPYRZ-UHFFFAOYSA-N
XLogP6.31
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene with MolForge

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Related Compounds

(3S)-8,9-dimethoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene
CID 130392084
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 105463071
3-(6,7-dimethoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995190
3-(2,4-difluorophenyl)-8,9-dimethoxy-2-nitro-3H-benzo[f]chromene;ethane
CID 145071205
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 6462277
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline
CID 82536880
6-fluoro-1,2,3,4-tetrahydroquinolin-3-ol
CID 83752604
8,9-dimethoxy-3-methyl-2-nitro-2,3-dihydro-1H-benzo[f]chromene
CID 145071214
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene?
The IUPAC name of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene (CID 145071201) is 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene.
What is the SMILES notation for 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene?
The canonical SMILES for 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene is CC.CC.COc1cc2ccc3c(c2cc1OC)CC(N)CN3.Fc1ccc(F)c(F)c1.
What is the InChIKey of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene?
The InChIKey is AKPAZSWRYSPYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.C6H3F3.2C2H6/c1-18-14-5-9-3-4-13-12(6-10(16)8-17-13)11(9)7-15(14)19-2;7-4-1-2-5(8)6(9)3-4;2*1-2/h3-5,7,10,17H,6,8,16H2,1-2H3;1-3H;2*1-2H3.
What are the key properties of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene?
8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene has a molecular weight of 450.55 g/mol, XLogP of 6.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[f]quinolin-2-amine;ethane;1,2,4-trifluorobenzene is sourced from PubChem (CID 145071201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).