3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide

C30H26N4O2 — CID 20790964

IUPAC3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide
SMILESCc1cc2c(c(CCC(=O)Nc3ccccc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C30H26N4O2/c1-21-19-26-30(25(31-21)17-18-29(36)33-23-13-7-3-8-14-23)27(35)20-28(32-22-11-5-2-6-12-22)34(26)24-15-9-4-10-16-24/h2-16,19-20,32H,17-18H2,1H3,(H,33,36)
InChIKeyBBNBJVGTZDGXOG-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.01
Rot. Bonds7

About 3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide

3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide (PubChem CID 20790964) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide
PubChem CID20790964
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC Name3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide
SMILESCc1cc2c(c(CCC(=O)Nc3ccccc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C30H26N4O2/c1-21-19-26-30(25(31-21)17-18-29(36)33-23-13-7-3-8-14-23)27(35)20-28(32-22-11-5-2-6-12-22)34(26)24-15-9-4-10-16-24/h2-16,19-20,32H,17-18H2,1H3,(H,33,36)
InChIKeyBBNBJVGTZDGXOG-UHFFFAOYSA-N
XLogP6.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Methylquinolin-4-yl)carbamoylamino]benzamide
CID 16085856
2-[(2-Methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
3-[(2-Methylquinolin-4-yl)carbamoylamino]benzamide
CID 53323752
2-methyl-N,4-diphenylquinoline-3-carboxamide
CID 2454634
1-(4-Acetylphenyl)-3-(2-methylquinolin-4-yl)urea
CID 16085895
N-(2-methyl-5,8-dioxoquinolin-7-yl)-3-phenylpropanamide
CID 44444117
(E)-N-(2-methyl-5,8-dioxoquinolin-7-yl)-3-phenylprop-2-enamide
CID 44444118
2-(Tert-butylamino)-5-methyl-3-phenylpyrimido[5,4-c]quinolin-4-one
CID 56969491
1-(2-Methyl-4-o-tolylamino-quinolin-3-yl)-butan-1-one
CID 9973184
N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
CID 44569448
N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
CID 44569579
N-[6-[(3-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
CID 44569580

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide?
The IUPAC name of 3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide (CID 20790964) is 3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide is Cc1cc2c(c(CCC(=O)Nc3ccccc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide?
The InChIKey is BBNBJVGTZDGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c1-21-19-26-30(25(31-21)17-18-29(36)33-23-13-7-3-8-14-23)27(35)20-28(32-22-11-5-2-6-12-22)34(26)24-15-9-4-10-16-24/h2-16,19-20,32H,17-18H2,1H3,(H,33,36).
What are the key properties of 3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide?
3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide has a molecular weight of 474.56 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide is sourced from PubChem (CID 20790964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).