9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one

C16H10ClN3O2 — CID 58564245

IUPAC9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one
SMILESO=c1[nH]c2nccc(Nc3cccc(Cl)c3)c2c2occc12
InChIInChI=1S/C16H10ClN3O2/c17-9-2-1-3-10(8-9)19-12-4-6-18-15-13(12)14-11(5-7-22-14)16(21)20-15/h1-8H,(H2,18,19,20,21)
InChIKeyXGAUPBFYMFAJIS-UHFFFAOYSA-N
MW311.73 g/mol
LogP4.07
Rot. Bonds2

About 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one

9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one (PubChem CID 58564245) has the molecular formula C16H10ClN3O2 and a molecular weight of 311.73 g/mol. Its IUPAC name is 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one
PubChem CID58564245
Molecular FormulaC16H10ClN3O2
Molecular Weight311.73 g/mol
Exact Mass311.05
IUPAC Name9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one
SMILESO=c1[nH]c2nccc(Nc3cccc(Cl)c3)c2c2occc12
InChIInChI=1S/C16H10ClN3O2/c17-9-2-1-3-10(8-9)19-12-4-6-18-15-13(12)14-11(5-7-22-14)16(21)20-15/h1-8H,(H2,18,19,20,21)
InChIKeyXGAUPBFYMFAJIS-UHFFFAOYSA-N
XLogP4.07
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one?
The IUPAC name of 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one (CID 58564245) is 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one?
The canonical SMILES for 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one is O=c1[nH]c2nccc(Nc3cccc(Cl)c3)c2c2occc12.
What is the InChIKey of 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one?
The InChIKey is XGAUPBFYMFAJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2/c17-9-2-1-3-10(8-9)19-12-4-6-18-15-13(12)14-11(5-7-22-14)16(21)20-15/h1-8H,(H2,18,19,20,21).
What are the key properties of 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one?
9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one has a molecular weight of 311.73 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 58564245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).