3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea

C29H24N4O2 — CID 20791003

IUPAC3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea
SMILESCc1ccnc2c1c(=O)cc(N(C(=O)NCc1ccccc1)c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C29H24N4O2/c1-21-17-18-30-28-27(21)25(34)19-26(32(28)23-13-7-3-8-14-23)33(24-15-9-4-10-16-24)29(35)31-20-22-11-5-2-6-12-22/h2-19H,20H2,1H3,(H,31,35)
InChIKeyWKIXZEVSFDISIS-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.74
Rot. Bonds5

About 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea

3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea (PubChem CID 20791003) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea.

Molecular Properties

Compound Name3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea
PubChem CID20791003
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea
SMILESCc1ccnc2c1c(=O)cc(N(C(=O)NCc1ccccc1)c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C29H24N4O2/c1-21-17-18-30-28-27(21)25(34)19-26(32(28)23-13-7-3-8-14-23)33(24-15-9-4-10-16-24)29(35)31-20-22-11-5-2-6-12-22/h2-19H,20H2,1H3,(H,31,35)
InChIKeyWKIXZEVSFDISIS-UHFFFAOYSA-N
XLogP5.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea?
The IUPAC name of 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea (CID 20791003) is 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea.
What is the SMILES notation for 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea?
The canonical SMILES for 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea is Cc1ccnc2c1c(=O)cc(N(C(=O)NCc1ccccc1)c1ccccc1)n2-c1ccccc1.
What is the InChIKey of 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea?
The InChIKey is WKIXZEVSFDISIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c1-21-17-18-30-28-27(21)25(34)19-26(32(28)23-13-7-3-8-14-23)33(24-15-9-4-10-16-24)29(35)31-20-22-11-5-2-6-12-22/h2-19H,20H2,1H3,(H,31,35).
What are the key properties of 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea?
3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea has a molecular weight of 460.54 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea is sourced from PubChem (CID 20791003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).