5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole

C21H16F3N3 — CID 155584355

IUPAC5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole
SMILESFc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc2c1NCCC2
InChIInChI=1S/C21H16F3N3/c22-17-9-14(8-13-2-1-6-26-20(13)17)12-3-4-15-16-11-25-7-5-18(16)27(21(23)24)19(15)10-12/h3-5,7-11,21,26H,1-2,6H2
InChIKeyXGFGMQVKRLOBBQ-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.75
Rot. Bonds2

About 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole

5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole (PubChem CID 155584355) has the molecular formula C21H16F3N3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole
PubChem CID155584355
Molecular FormulaC21H16F3N3
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole
SMILESFc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc2c1NCCC2
InChIInChI=1S/C21H16F3N3/c22-17-9-14(8-13-2-1-6-26-20(13)17)12-3-4-15-16-11-25-7-5-18(16)27(21(23)24)19(15)10-12/h3-5,7-11,21,26H,1-2,6H2
InChIKeyXGFGMQVKRLOBBQ-UHFFFAOYSA-N
XLogP5.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole with MolForge

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Related Compounds

5-(difluoromethyl)-3-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl]-7-(8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrido[4,3-b]indole
CID 155583730
7-(6-butan-2-yl-5-fluoro-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole
CID 155583987
5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
CID 155584256
1-[6-[[4-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]-1,3-diazinane-2,4-dione
CID 172610492
8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155583549
5-[4-[2-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]propan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 165371437
5-[4-[[1-[[3-[[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]oxy]cyclobutyl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 165371280
6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline
CID 16791217
5-methyl-7-phenylpyrido[4,3-b]indole
CID 155583386
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 165371058
5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 155584433

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole?
The IUPAC name of 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole (CID 155584355) is 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole?
The canonical SMILES for 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole is Fc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cc2c1NCCC2.
What is the InChIKey of 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole?
The InChIKey is XGFGMQVKRLOBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3/c22-17-9-14(8-13-2-1-6-26-20(13)17)12-3-4-15-16-11-25-7-5-18(16)27(21(23)24)19(15)10-12/h3-5,7-11,21,26H,1-2,6H2.
What are the key properties of 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole?
5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole has a molecular weight of 367.37 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-7-(8-fluoro-1,2,3,4-tetrahydroquinolin-6-yl)pyrido[4,3-b]indole is sourced from PubChem (CID 155584355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).