6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one

C20H13ClFN3O — CID 137438181

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C20H13ClFN3O/c1-11-8-13(9-18(21)24-11)15-10-16-17(26)6-7-23-20(16)25-19(15)12-2-4-14(22)5-3-12/h2-10H,1H3,(H,23,25,26)
InChIKeyZUFGRDOWFWNERC-UHFFFAOYSA-N
MW365.80 g/mol
LogP4.75
Rot. Bonds2

About 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438181) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one
PubChem CID137438181
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C20H13ClFN3O/c1-11-8-13(9-18(21)24-11)15-10-16-17(26)6-7-23-20(16)25-19(15)12-2-4-14(22)5-3-12/h2-10H,1H3,(H,23,25,26)
InChIKeyZUFGRDOWFWNERC-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one (CID 137438181) is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one?
The InChIKey is ZUFGRDOWFWNERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c1-11-8-13(9-18(21)24-11)15-10-16-17(26)6-7-23-20(16)25-19(15)12-2-4-14(22)5-3-12/h2-10H,1H3,(H,23,25,26).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one has a molecular weight of 365.80 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).