2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C29H23F3N4O — CID 20790864

IUPAC2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCN(Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)c1ccccc1
InChIInChI=1S/C29H23F3N4O/c1-35(22-13-7-3-8-14-22)19-21-17-24(29(30,31)32)27-25(37)18-26(33-20-11-5-2-6-12-20)36(28(27)34-21)23-15-9-4-10-16-23/h2-18,33H,19H2,1H3
InChIKeyXFHDWDMQGAQYQV-UHFFFAOYSA-N
MW500.52 g/mol
LogP6.78
Rot. Bonds6

About 2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790864) has the molecular formula C29H23F3N4O and a molecular weight of 500.52 g/mol. Its IUPAC name is 2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790864
Molecular FormulaC29H23F3N4O
Molecular Weight500.52 g/mol
Exact Mass500.18
IUPAC Name2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCN(Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)c1ccccc1
InChIInChI=1S/C29H23F3N4O/c1-35(22-13-7-3-8-14-22)19-21-17-24(29(30,31)32)27-25(37)18-26(33-20-11-5-2-6-12-20)36(28(27)34-21)23-15-9-4-10-16-23/h2-18,33H,19H2,1H3
InChIKeyXFHDWDMQGAQYQV-UHFFFAOYSA-N
XLogP6.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.52
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790864) is 2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CN(Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)c1ccccc1.
What is the InChIKey of 2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is XFHDWDMQGAQYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N4O/c1-35(22-13-7-3-8-14-22)19-21-17-24(29(30,31)32)27-25(37)18-26(33-20-11-5-2-6-12-20)36(28(27)34-21)23-15-9-4-10-16-23/h2-18,33H,19H2,1H3.
What are the key properties of 2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 500.52 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).