6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile

C21H22N6O — CID 89496243

IUPAC6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile
SMILESCN1CCC(Oc2cc3ncc(C#N)c(Nc4cccnc4)c3cc2N)CC1
InChIInChI=1S/C21H22N6O/c1-27-7-4-16(5-8-27)28-20-10-19-17(9-18(20)23)21(14(11-22)12-25-19)26-15-3-2-6-24-13-15/h2-3,6,9-10,12-13,16H,4-5,7-8,23H2,1H3,(H,25,26)
InChIKeyOENPNEAQHDKSMV-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.30
Rot. Bonds4

About 6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile

6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile (PubChem CID 89496243) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile
PubChem CID89496243
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile
SMILESCN1CCC(Oc2cc3ncc(C#N)c(Nc4cccnc4)c3cc2N)CC1
InChIInChI=1S/C21H22N6O/c1-27-7-4-16(5-8-27)28-20-10-19-17(9-18(20)23)21(14(11-22)12-25-19)26-15-3-2-6-24-13-15/h2-3,6,9-10,12-13,16H,4-5,7-8,23H2,1H3,(H,25,26)
InChIKeyOENPNEAQHDKSMV-UHFFFAOYSA-N
XLogP3.30
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile (CID 89496243) is 6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile is CN1CCC(Oc2cc3ncc(C#N)c(Nc4cccnc4)c3cc2N)CC1.
What is the InChIKey of 6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile?
The InChIKey is OENPNEAQHDKSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-27-7-4-16(5-8-27)28-20-10-19-17(9-18(20)23)21(14(11-22)12-25-19)26-15-3-2-6-24-13-15/h2-3,6,9-10,12-13,16H,4-5,7-8,23H2,1H3,(H,25,26).
What are the key properties of 6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile?
6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile has a molecular weight of 374.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 89496243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).