10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine

C17H8Cl2F2N4 — CID 59436106

IUPAC10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine
SMILESFc1cc(F)c(Nc2nc3ccncc3c3c(Cl)nccc23)c(Cl)c1
InChIInChI=1S/C17H8Cl2F2N4/c18-11-5-8(20)6-12(21)15(11)25-17-9-1-4-23-16(19)14(9)10-7-22-3-2-13(10)24-17/h1-7H,(H,24,25)
InChIKeyFOXADZDLOWCBDS-UHFFFAOYSA-N
MW377.18 g/mol
LogP5.51
Rot. Bonds2

About 10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine

10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine (PubChem CID 59436106) has the molecular formula C17H8Cl2F2N4 and a molecular weight of 377.18 g/mol. Its IUPAC name is 10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine.

Molecular Properties

Compound Name10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine
PubChem CID59436106
Molecular FormulaC17H8Cl2F2N4
Molecular Weight377.18 g/mol
Exact Mass376.01
IUPAC Name10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine
SMILESFc1cc(F)c(Nc2nc3ccncc3c3c(Cl)nccc23)c(Cl)c1
InChIInChI=1S/C17H8Cl2F2N4/c18-11-5-8(20)6-12(21)15(11)25-17-9-1-4-23-16(19)14(9)10-7-22-3-2-13(10)24-17/h1-7H,(H,24,25)
InChIKeyFOXADZDLOWCBDS-UHFFFAOYSA-N
XLogP5.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.18
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine?
The IUPAC name of 10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine (CID 59436106) is 10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine.
What is the SMILES notation for 10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine?
The canonical SMILES for 10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine is Fc1cc(F)c(Nc2nc3ccncc3c3c(Cl)nccc23)c(Cl)c1.
What is the InChIKey of 10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine?
The InChIKey is FOXADZDLOWCBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2F2N4/c18-11-5-8(20)6-12(21)15(11)25-17-9-1-4-23-16(19)14(9)10-7-22-3-2-13(10)24-17/h1-7H,(H,24,25).
What are the key properties of 10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine?
10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine has a molecular weight of 377.18 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c][1,6]naphthyridin-6-amine is sourced from PubChem (CID 59436106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).