6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline

C68H70N12 — CID 157096267

IUPAC6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline
SMILESCCN1CCC(c2ccc3nc(-c4ccc5nn(C)cc5c4)ccc3c2)CC1.Cn1cc2cc(-c3ccc4cc(C5CCNCC5)ccc4n3)ccc2n1.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)ccc4c3)ccc2n1
InChIInChI=1S/C24H26N4.2C22H22N4/c1-3-28-12-10-17(11-13-28)18-4-7-22-19(14-18)5-8-23(25-22)20-6-9-24-21(15-20)16-27(2)26-24;1-26-14-19-13-17(3-7-22(19)25-26)16-2-5-21-18(12-16)4-6-20(24-21)15-8-10-23-11-9-15;1-26-14-19-13-18(4-7-22(19)25-26)21-6-3-17-12-16(2-5-20(17)24-21)15-8-10-23-11-9-15/h4-9,14-17H,3,10-13H2,1-2H3;2*2-7,12-15,23H,8-11H2,1H3
InChIKeyAFFZDLUUUXYIJU-UHFFFAOYSA-N
MW1055.39 g/mol
LogP13.50
Rot. Bonds7

About 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline

6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline (PubChem CID 157096267) has the molecular formula C68H70N12 and a molecular weight of 1055.39 g/mol. Its IUPAC name is 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline.

Molecular Properties

Compound Name6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline
PubChem CID157096267
Molecular FormulaC68H70N12
Molecular Weight1055.39 g/mol
Exact Mass1054.58
IUPAC Name6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline
SMILESCCN1CCC(c2ccc3nc(-c4ccc5nn(C)cc5c4)ccc3c2)CC1.Cn1cc2cc(-c3ccc4cc(C5CCNCC5)ccc4n3)ccc2n1.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)ccc4c3)ccc2n1
InChIInChI=1S/C24H26N4.2C22H22N4/c1-3-28-12-10-17(11-13-28)18-4-7-22-19(14-18)5-8-23(25-22)20-6-9-24-21(15-20)16-27(2)26-24;1-26-14-19-13-17(3-7-22(19)25-26)16-2-5-21-18(12-16)4-6-20(24-21)15-8-10-23-11-9-15;1-26-14-19-13-18(4-7-22(19)25-26)21-6-3-17-12-16(2-5-20(17)24-21)15-8-10-23-11-9-15/h4-9,14-17H,3,10-13H2,1-2H3;2*2-7,12-15,23H,8-11H2,1H3
InChIKeyAFFZDLUUUXYIJU-UHFFFAOYSA-N
XLogP13.50
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001055.39
LogP ≤ 513.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline with MolForge

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Related Compounds

4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223297
3-(1-Methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)-1-pyridin-4-ylindole
CID 71508682
3-(1-Methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylindole
CID 71508684
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115499
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137117041
US11168082, Cpd. No. 80
CID 146564952
US10660877, Example 689
CID 134329314
US10660877, Example 445
CID 134329334
US10660877, Example 440
CID 134329693
US10660877, Example 461
CID 134329722
US11420958, Ex. No. 258
CID 150539181
Ru(II)(phen)2(phen-cyclen-2H+)
CID 16683884

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline?
The IUPAC name of 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline (CID 157096267) is 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline.
What is the SMILES notation for 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline?
The canonical SMILES for 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline is CCN1CCC(c2ccc3nc(-c4ccc5nn(C)cc5c4)ccc3c2)CC1.Cn1cc2cc(-c3ccc4cc(C5CCNCC5)ccc4n3)ccc2n1.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)ccc4c3)ccc2n1.
What is the InChIKey of 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline?
The InChIKey is AFFZDLUUUXYIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4.2C22H22N4/c1-3-28-12-10-17(11-13-28)18-4-7-22-19(14-18)5-8-23(25-22)20-6-9-24-21(15-20)16-27(2)26-24;1-26-14-19-13-17(3-7-22(19)25-26)16-2-5-21-18(12-16)4-6-20(24-21)15-8-10-23-11-9-15;1-26-14-19-13-18(4-7-22(19)25-26)21-6-3-17-12-16(2-5-20(17)24-21)15-8-10-23-11-9-15/h4-9,14-17H,3,10-13H2,1-2H3;2*2-7,12-15,23H,8-11H2,1H3.
What are the key properties of 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline?
6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline has a molecular weight of 1055.39 g/mol, XLogP of 13.50, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline is sourced from PubChem (CID 157096267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).