5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one

C18H15Cl3FN3O — CID 168824696

IUPAC5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(CCCN)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C18H15Cl3FN3O/c1-9-5-15(26)16-14(3-2-4-23)24-8-13(21)18(16)25(9)17-11(19)6-10(22)7-12(17)20/h5-8H,2-4,23H2,1H3
InChIKeySVUOYNRBYHIEGU-UHFFFAOYSA-N
MW414.70 g/mol
LogP4.68
Rot. Bonds4

About 5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one

5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one (PubChem CID 168824696) has the molecular formula C18H15Cl3FN3O and a molecular weight of 414.70 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one
PubChem CID168824696
Molecular FormulaC18H15Cl3FN3O
Molecular Weight414.70 g/mol
Exact Mass413.03
IUPAC Name5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(CCCN)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C18H15Cl3FN3O/c1-9-5-15(26)16-14(3-2-4-23)24-8-13(21)18(16)25(9)17-11(19)6-10(22)7-12(17)20/h5-8H,2-4,23H2,1H3
InChIKeySVUOYNRBYHIEGU-UHFFFAOYSA-N
XLogP4.68
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.70
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one (CID 168824696) is 5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one is Cc1cc(=O)c2c(CCCN)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one?
The InChIKey is SVUOYNRBYHIEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3FN3O/c1-9-5-15(26)16-14(3-2-4-23)24-8-13(21)18(16)25(9)17-11(19)6-10(22)7-12(17)20/h5-8H,2-4,23H2,1H3.
What are the key properties of 5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one?
5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one has a molecular weight of 414.70 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 168824696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).