8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline

C24H24F2N4 — CID 174159695

IUPAC8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline
SMILESCCN1CCC(c2cc(F)cc3ccc(-c4cc(F)c5nn(C)cc5c4)nc23)CC1
InChIInChI=1S/C24H24F2N4/c1-3-30-8-6-15(7-9-30)20-13-19(25)11-16-4-5-22(27-23(16)20)17-10-18-14-29(2)28-24(18)21(26)12-17/h4-5,10-15H,3,6-9H2,1-2H3
InChIKeyNUSPCEWXCMGPML-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.27
Rot. Bonds3

About 8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline

8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline (PubChem CID 174159695) has the molecular formula C24H24F2N4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline.

Molecular Properties

Compound Name8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline
PubChem CID174159695
Molecular FormulaC24H24F2N4
Molecular Weight406.48 g/mol
Exact Mass406.20
IUPAC Name8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline
SMILESCCN1CCC(c2cc(F)cc3ccc(-c4cc(F)c5nn(C)cc5c4)nc23)CC1
InChIInChI=1S/C24H24F2N4/c1-3-30-8-6-15(7-9-30)20-13-19(25)11-16-4-5-22(27-23(16)20)17-10-18-14-29(2)28-24(18)21(26)12-17/h4-5,10-15H,3,6-9H2,1-2H3
InChIKeyNUSPCEWXCMGPML-UHFFFAOYSA-N
XLogP5.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Latrepirdine
CID 197033
Nerispirdine
CID 3081185
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Dihydropyrrolopyrazole, 7d
CID 9946092
(3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10850308
6-[1-(2-Fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline
CID 11301185
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557

Frequently Asked Questions

What is the IUPAC name of 8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline?
The IUPAC name of 8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline (CID 174159695) is 8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline.
What is the SMILES notation for 8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline?
The canonical SMILES for 8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline is CCN1CCC(c2cc(F)cc3ccc(-c4cc(F)c5nn(C)cc5c4)nc23)CC1.
What is the InChIKey of 8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline?
The InChIKey is NUSPCEWXCMGPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4/c1-3-30-8-6-15(7-9-30)20-13-19(25)11-16-4-5-22(27-23(16)20)17-10-18-14-29(2)28-24(18)21(26)12-17/h4-5,10-15H,3,6-9H2,1-2H3.
What are the key properties of 8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline?
8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline has a molecular weight of 406.48 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline is sourced from PubChem (CID 174159695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).