6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one

C26H17ClF3N3O — CID 137438617

IUPAC6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1CCC(F)(F)F
InChIInChI=1S/C26H17ClF3N3O/c27-21-14-18(11-16-7-4-10-31-23(16)21)20-13-19-12-17(8-9-26(28,29)30)25(34)33-24(19)32-22(20)15-5-2-1-3-6-15/h1-7,10-14H,8-9H2,(H,32,33,34)
InChIKeyHFXSCCSIEGXJDE-UHFFFAOYSA-N
MW479.89 g/mol
LogP6.95
Rot. Bonds4

About 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one

6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438617) has the molecular formula C26H17ClF3N3O and a molecular weight of 479.89 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one
PubChem CID137438617
Molecular FormulaC26H17ClF3N3O
Molecular Weight479.89 g/mol
Exact Mass479.10
IUPAC Name6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1CCC(F)(F)F
InChIInChI=1S/C26H17ClF3N3O/c27-21-14-18(11-16-7-4-10-31-23(16)21)20-13-19-12-17(8-9-26(28,29)30)25(34)33-24(19)32-22(20)15-5-2-1-3-6-15/h1-7,10-14H,8-9H2,(H,32,33,34)
InChIKeyHFXSCCSIEGXJDE-UHFFFAOYSA-N
XLogP6.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.89
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one (CID 137438617) is 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one is O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1CCC(F)(F)F.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is HFXSCCSIEGXJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3N3O/c27-21-14-18(11-16-7-4-10-31-23(16)21)20-13-19-12-17(8-9-26(28,29)30)25(34)33-24(19)32-22(20)15-5-2-1-3-6-15/h1-7,10-14H,8-9H2,(H,32,33,34).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one?
6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 479.89 g/mol, XLogP of 6.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).