6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one

C17H9ClF2N4O — CID 59436049

IUPAC6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(F)cc(F)cc3Cl)nc3ccncc3c12
InChIInChI=1S/C17H9ClF2N4O/c18-11-5-8(19)6-12(20)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)
InChIKeyLCXFJNAPNKZSFF-UHFFFAOYSA-N
MW358.74 g/mol
LogP4.15
Rot. Bonds2

About 6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one

6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (PubChem CID 59436049) has the molecular formula C17H9ClF2N4O and a molecular weight of 358.74 g/mol. Its IUPAC name is 6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
PubChem CID59436049
Molecular FormulaC17H9ClF2N4O
Molecular Weight358.74 g/mol
Exact Mass358.04
IUPAC Name6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(F)cc(F)cc3Cl)nc3ccncc3c12
InChIInChI=1S/C17H9ClF2N4O/c18-11-5-8(19)6-12(20)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)
InChIKeyLCXFJNAPNKZSFF-UHFFFAOYSA-N
XLogP4.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The IUPAC name of 6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (CID 59436049) is 6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.
What is the SMILES notation for 6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The canonical SMILES for 6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is O=c1[nH]ccc2c(Nc3c(F)cc(F)cc3Cl)nc3ccncc3c12.
What is the InChIKey of 6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The InChIKey is LCXFJNAPNKZSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF2N4O/c18-11-5-8(19)6-12(20)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24).
What are the key properties of 6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one has a molecular weight of 358.74 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4,6-difluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is sourced from PubChem (CID 59436049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).