7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile

C25H26N6O3 — CID 10161561

IUPAC7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile
SMILESCOc1cc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc2cc1OCCN1CCC(O)CC1
InChIInChI=1S/C25H26N6O3/c1-33-23-11-20-22(12-24(23)34-9-8-31-6-4-19(32)5-7-31)27-14-17(13-26)25(20)29-18-3-2-16-15-28-30-21(16)10-18/h2-3,10-12,14-15,19,32H,4-9H2,1H3,(H,27,29)(H,28,30)
InChIKeyXCWAWTVTINOSBS-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.57
Rot. Bonds7

About 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile

7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile (PubChem CID 10161561) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile
PubChem CID10161561
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile
SMILESCOc1cc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc2cc1OCCN1CCC(O)CC1
InChIInChI=1S/C25H26N6O3/c1-33-23-11-20-22(12-24(23)34-9-8-31-6-4-19(32)5-7-31)27-14-17(13-26)25(20)29-18-3-2-16-15-28-30-21(16)10-18/h2-3,10-12,14-15,19,32H,4-9H2,1H3,(H,27,29)(H,28,30)
InChIKeyXCWAWTVTINOSBS-UHFFFAOYSA-N
XLogP3.57
TPSA119.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile with MolForge

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Related Compounds

4-(2-chloro-5-methoxy-4-methylanilino)-8-[2-(4-hydroxypiperidin-1-yl)ethoxy]-7-methoxybenzo[g]quinoline-3-carbonitrile
CID 5330441
7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 21035063
4-(1,3-benzothiazol-2-ylamino)-6-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline-3-carbonitrile
CID 44586614
7-(2-chloroethoxy)-4-(3-hydroxy-4-methylanilino)-6-methoxyquinoline-3-carbonitrile
CID 22466649
1-[3-cyano-7-ethoxy-4-(1H-indazol-5-ylamino)quinolin-6-yl]-3-(1-ethylpiperidin-4-yl)urea
CID 171481663
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-(2,4-dichloro-5-methoxyanilino)-7-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)propoxy]-6-methoxyquinoline-3-carbonitrile
CID 72695380
4-(4-amino-3,5-diiodoanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CID 72700331
4-[(3-chloro-6-methoxy-2-pyridinyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CID 10323578
4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-[4-[2-(2-propoxyethoxy)ethyl]piperazin-1-yl]propoxy]quinoline-3-carbonitrile
CID 137421535
4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methoxyquinoline-3-carbonitrile
CID 25218822
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile?
The IUPAC name of 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile (CID 10161561) is 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile is COc1cc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc2cc1OCCN1CCC(O)CC1.
What is the InChIKey of 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile?
The InChIKey is XCWAWTVTINOSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-33-23-11-20-22(12-24(23)34-9-8-31-6-4-19(32)5-7-31)27-14-17(13-26)25(20)29-18-3-2-16-15-28-30-21(16)10-18/h2-3,10-12,14-15,19,32H,4-9H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile?
7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile has a molecular weight of 458.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 10161561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).