7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one

C19H18ClFN2O3 — CID 118222577

IUPAC7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(Cl)cc3n(C(C)C)c2=O)c1
InChIInChI=1S/C19H18ClFN2O3/c1-10(2)23-15-8-17(20)22-9-11(15)5-14(19(23)24)13-6-12(25-3)7-16(26-4)18(13)21/h5-10H,1-4H3
InChIKeyCLJIARPPQBDCIU-UHFFFAOYSA-N
MW376.82 g/mol
LogP4.45
Rot. Bonds4

About 7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one

7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one (PubChem CID 118222577) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one
PubChem CID118222577
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(Cl)cc3n(C(C)C)c2=O)c1
InChIInChI=1S/C19H18ClFN2O3/c1-10(2)23-15-8-17(20)22-9-11(15)5-14(19(23)24)13-6-12(25-3)7-16(26-4)18(13)21/h5-10H,1-4H3
InChIKeyCLJIARPPQBDCIU-UHFFFAOYSA-N
XLogP4.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 54.45
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-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one (CID 118222577) is 7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one is COc1cc(OC)c(F)c(-c2cc3cnc(Cl)cc3n(C(C)C)c2=O)c1.
What is the InChIKey of 7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one?
The InChIKey is CLJIARPPQBDCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-10(2)23-15-8-17(20)22-9-11(15)5-14(19(23)24)13-6-12(25-3)7-16(26-4)18(13)21/h5-10H,1-4H3.
What are the key properties of 7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one?
7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one has a molecular weight of 376.82 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-fluoro-3,5-dimethoxyphenyl)-1-propan-2-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118222577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).