2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one

C23H16F2N4O — CID 53492821

IUPAC2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccc(F)c(F)c3)cc(Nc3cccc4ncccc34)c21
InChIInChI=1S/C23H16F2N4O/c24-15-7-6-13(11-16(15)25)20-12-21(22-19(29-20)8-10-27-23(22)30)28-18-5-1-4-17-14(18)3-2-9-26-17/h1-7,9,11-12H,8,10H2,(H,27,30)(H,28,29)
InChIKeyJJEPFUGVOBPADY-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.60
Rot. Bonds3

About 2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53492821) has the molecular formula C23H16F2N4O and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53492821
Molecular FormulaC23H16F2N4O
Molecular Weight402.40 g/mol
Exact Mass402.13
IUPAC Name2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccc(F)c(F)c3)cc(Nc3cccc4ncccc34)c21
InChIInChI=1S/C23H16F2N4O/c24-15-7-6-13(11-16(15)25)20-12-21(22-19(29-20)8-10-27-23(22)30)28-18-5-1-4-17-14(18)3-2-9-26-17/h1-7,9,11-12H,8,10H2,(H,27,30)(H,28,29)
InChIKeyJJEPFUGVOBPADY-UHFFFAOYSA-N
XLogP4.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53492821) is 2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(-c3ccc(F)c(F)c3)cc(Nc3cccc4ncccc34)c21.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is JJEPFUGVOBPADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O/c24-15-7-6-13(11-16(15)25)20-12-21(22-19(29-20)8-10-27-23(22)30)28-18-5-1-4-17-14(18)3-2-9-26-17/h1-7,9,11-12H,8,10H2,(H,27,30)(H,28,29).
What are the key properties of 2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 402.40 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53492821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).