2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one

C18H12ClN3O — CID 90097183

IUPAC2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCc1cccc(-n2c(=O)ccc3cnc4ccc(Cl)nc4c32)c1
InChIInChI=1S/C18H12ClN3O/c1-11-3-2-4-13(9-11)22-16(23)8-5-12-10-20-14-6-7-15(19)21-17(14)18(12)22/h2-10H,1H3
InChIKeyJSYKWLWXFZQCDC-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.90
Rot. Bonds1

About 2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one

2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 90097183) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID90097183
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCc1cccc(-n2c(=O)ccc3cnc4ccc(Cl)nc4c32)c1
InChIInChI=1S/C18H12ClN3O/c1-11-3-2-4-13(9-11)22-16(23)8-5-12-10-20-14-6-7-15(19)21-17(14)18(12)22/h2-10H,1H3
InChIKeyJSYKWLWXFZQCDC-UHFFFAOYSA-N
XLogP3.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.90
H-Bond Donors ≤ 50
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 2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one (CID 90097183) is 2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one is Cc1cccc(-n2c(=O)ccc3cnc4ccc(Cl)nc4c32)c1.
What is the InChIKey of 2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is JSYKWLWXFZQCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c1-11-3-2-4-13(9-11)22-16(23)8-5-12-10-20-14-6-7-15(19)21-17(14)18(12)22/h2-10H,1H3.
What are the key properties of 2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 321.77 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-(3-methylphenyl)pyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 90097183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).