2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C29H27F3N4O2 — CID 20790668

IUPAC2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=C(CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)N1CCCCC1
InChIInChI=1S/C29H27F3N4O2/c30-29(31,32)23-18-21(14-15-26(38)35-16-8-3-9-17-35)34-28-27(23)24(37)19-25(33-20-10-4-1-5-11-20)36(28)22-12-6-2-7-13-22/h1-2,4-7,10-13,18-19,33H,3,8-9,14-17H2
InChIKeySFEJRDQCTBCFNQ-UHFFFAOYSA-N
MW520.56 g/mol
LogP6.09
Rot. Bonds6

About 2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790668) has the molecular formula C29H27F3N4O2 and a molecular weight of 520.56 g/mol. Its IUPAC name is 2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790668
Molecular FormulaC29H27F3N4O2
Molecular Weight520.56 g/mol
Exact Mass520.21
IUPAC Name2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=C(CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)N1CCCCC1
InChIInChI=1S/C29H27F3N4O2/c30-29(31,32)23-18-21(14-15-26(38)35-16-8-3-9-17-35)34-28-27(23)24(37)19-25(33-20-10-4-1-5-11-20)36(28)22-12-6-2-7-13-22/h1-2,4-7,10-13,18-19,33H,3,8-9,14-17H2
InChIKeySFEJRDQCTBCFNQ-UHFFFAOYSA-N
XLogP6.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.56
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790668) is 2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=C(CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)N1CCCCC1.
What is the InChIKey of 2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is SFEJRDQCTBCFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O2/c30-29(31,32)23-18-21(14-15-26(38)35-16-8-3-9-17-35)34-28-27(23)24(37)19-25(33-20-10-4-1-5-11-20)36(28)22-12-6-2-7-13-22/h1-2,4-7,10-13,18-19,33H,3,8-9,14-17H2.
What are the key properties of 2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 520.56 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(3-oxo-3-piperidin-1-ylpropyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).