6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one

C21H11FN6O — CID 154604820

IUPAC6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one
SMILES[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncc(F)cc3c2)c1
InChIInChI=1S/C21H11FN6O/c1-23-15-10-26-28(11-15)21-16(8-17-19(29)4-5-24-20(17)27-21)12-2-3-18-13(6-12)7-14(22)9-25-18/h2-11H,(H,24,27,29)
InChIKeyDVXZDRDRSCKXLH-UHFFFAOYSA-N
MW382.36 g/mol
LogP4.01
Rot. Bonds2

About 6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one

6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 154604820) has the molecular formula C21H11FN6O and a molecular weight of 382.36 g/mol. Its IUPAC name is 6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one
PubChem CID154604820
Molecular FormulaC21H11FN6O
Molecular Weight382.36 g/mol
Exact Mass382.10
IUPAC Name6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one
SMILES[C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncc(F)cc3c2)c1
InChIInChI=1S/C21H11FN6O/c1-23-15-10-26-28(11-15)21-16(8-17-19(29)4-5-24-20(17)27-21)12-2-3-18-13(6-12)7-14(22)9-25-18/h2-11H,(H,24,27,29)
InChIKeyDVXZDRDRSCKXLH-UHFFFAOYSA-N
XLogP4.01
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one (CID 154604820) is 6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one is [C-]#[N+]c1cnn(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncc(F)cc3c2)c1.
What is the InChIKey of 6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is DVXZDRDRSCKXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11FN6O/c1-23-15-10-26-28(11-15)21-16(8-17-19(29)4-5-24-20(17)27-21)12-2-3-18-13(6-12)7-14(22)9-25-18/h2-11H,(H,24,27,29).
What are the key properties of 6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one?
6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 382.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroquinolin-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 154604820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).