2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one

C27H22N4O2 — CID 20790781

IUPAC2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(COc3cccnc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C27H22N4O2/c1-19-15-24-27(23(29-19)18-33-22-13-8-14-28-17-22)25(32)16-26(30-20-9-4-2-5-10-20)31(24)21-11-6-3-7-12-21/h2-17,30H,18H2,1H3
InChIKeySQKNIQAPZARKRR-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.41
Rot. Bonds6

About 2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one

2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one (PubChem CID 20790781) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one
PubChem CID20790781
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(COc3cccnc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C27H22N4O2/c1-19-15-24-27(23(29-19)18-33-22-13-8-14-28-17-22)25(32)16-26(30-20-9-4-2-5-10-20)31(24)21-11-6-3-7-12-21/h2-17,30H,18H2,1H3
InChIKeySQKNIQAPZARKRR-UHFFFAOYSA-N
XLogP5.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one (CID 20790781) is 2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one is Cc1cc2c(c(COc3cccnc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one?
The InChIKey is SQKNIQAPZARKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-19-15-24-27(23(29-19)18-33-22-13-8-14-28-17-22)25(32)16-26(30-20-9-4-2-5-10-20)31(24)21-11-6-3-7-12-21/h2-17,30H,18H2,1H3.
What are the key properties of 2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one?
2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one has a molecular weight of 434.50 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-methyl-1-phenyl-5-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).