[2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide

C24H16F2N6 — CID 53492945

IUPAC[2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide
SMILESN#CNC1=NCCc2nc(-c3ccc(F)c(F)c3)cc(Nc3cccc4ncccc34)c21
InChIInChI=1S/C24H16F2N6/c25-16-7-6-14(11-17(16)26)21-12-22(23-20(32-21)8-10-29-24(23)30-13-27)31-19-5-1-4-18-15(19)3-2-9-28-18/h1-7,9,11-12H,8,10H2,(H,29,30)(H,31,32)
InChIKeyIYUZAUFNGUWGDQ-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.69
Rot. Bonds3

About [2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide

[2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide (PubChem CID 53492945) has the molecular formula C24H16F2N6 and a molecular weight of 426.43 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide
PubChem CID53492945
Molecular FormulaC24H16F2N6
Molecular Weight426.43 g/mol
Exact Mass426.14
IUPAC Name[2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide
SMILESN#CNC1=NCCc2nc(-c3ccc(F)c(F)c3)cc(Nc3cccc4ncccc34)c21
InChIInChI=1S/C24H16F2N6/c25-16-7-6-14(11-17(16)26)21-12-22(23-20(32-21)8-10-29-24(23)30-13-27)31-19-5-1-4-18-15(19)3-2-9-28-18/h1-7,9,11-12H,8,10H2,(H,29,30)(H,31,32)
InChIKeyIYUZAUFNGUWGDQ-UHFFFAOYSA-N
XLogP4.69
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide?
The IUPAC name of [2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide (CID 53492945) is [2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide.
What is the SMILES notation for [2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide?
The canonical SMILES for [2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide is N#CNC1=NCCc2nc(-c3ccc(F)c(F)c3)cc(Nc3cccc4ncccc34)c21.
What is the InChIKey of [2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide?
The InChIKey is IYUZAUFNGUWGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N6/c25-16-7-6-14(11-17(16)26)21-12-22(23-20(32-21)8-10-29-24(23)30-13-27)31-19-5-1-4-18-15(19)3-2-9-28-18/h1-7,9,11-12H,8,10H2,(H,29,30)(H,31,32).
What are the key properties of [2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide?
[2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide has a molecular weight of 426.43 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide is sourced from PubChem (CID 53492945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).