2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one

C27H22N4O — CID 20790543

IUPAC2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nccc(CNc3ccccc3)c12
InChIInChI=1S/C27H22N4O/c32-24-18-25(30-22-12-6-2-7-13-22)31(23-14-8-3-9-15-23)27-26(24)20(16-17-28-27)19-29-21-10-4-1-5-11-21/h1-18,29-30H,19H2
InChIKeyFWZFCUSBNIIUCK-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.74
Rot. Bonds6

About 2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one

2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 20790543) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one
PubChem CID20790543
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nccc(CNc3ccccc3)c12
InChIInChI=1S/C27H22N4O/c32-24-18-25(30-22-12-6-2-7-13-22)31(23-14-8-3-9-15-23)27-26(24)20(16-17-28-27)19-29-21-10-4-1-5-11-21/h1-18,29-30H,19H2
InChIKeyFWZFCUSBNIIUCK-UHFFFAOYSA-N
XLogP5.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one (CID 20790543) is 2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nccc(CNc3ccccc3)c12.
What is the InChIKey of 2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is FWZFCUSBNIIUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c32-24-18-25(30-22-12-6-2-7-13-22)31(23-14-8-3-9-15-23)27-26(24)20(16-17-28-27)19-29-21-10-4-1-5-11-21/h1-18,29-30H,19H2.
What are the key properties of 2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one?
2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 418.50 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-(anilinomethyl)-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).