7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one

C18H15ClFN3O2 — CID 171556501

IUPAC7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCCC(=O)c1ncc(-c2cc3cnc(Cl)cc3n(C)c2=O)c(C)c1F
InChIInChI=1S/C18H15ClFN3O2/c1-4-14(24)17-16(20)9(2)12(8-22-17)11-5-10-7-21-15(19)6-13(10)23(3)18(11)25/h5-8H,4H2,1-3H3
InChIKeyRUSKSDVAMYEOMG-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.69
Rot. Bonds3

About 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one

7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one (PubChem CID 171556501) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one
PubChem CID171556501
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCCC(=O)c1ncc(-c2cc3cnc(Cl)cc3n(C)c2=O)c(C)c1F
InChIInChI=1S/C18H15ClFN3O2/c1-4-14(24)17-16(20)9(2)12(8-22-17)11-5-10-7-21-15(19)6-13(10)23(3)18(11)25/h5-8H,4H2,1-3H3
InChIKeyRUSKSDVAMYEOMG-UHFFFAOYSA-N
XLogP3.69
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one (CID 171556501) is 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one is CCC(=O)c1ncc(-c2cc3cnc(Cl)cc3n(C)c2=O)c(C)c1F.
What is the InChIKey of 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is RUSKSDVAMYEOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-4-14(24)17-16(20)9(2)12(8-22-17)11-5-10-7-21-15(19)6-13(10)23(3)18(11)25/h5-8H,4H2,1-3H3.
What are the key properties of 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one?
7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 359.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(5-fluoro-4-methyl-6-propanoyl-3-pyridinyl)-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 171556501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).