1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea

C28H30N4O3 — CID 22106214

About 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea

1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea (PubChem CID 22106214) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea.

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea
• PubChem CID: 22106214
• Molecular Formula: C28H30N4O3
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.23
• IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea
• SMILES: COc1cccc(-c2c(NC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)[nH]c3ncccc23)c1
• InChI: InChI=1S/C28H30N4O3/c1-16(2)20-11-7-12-21(17(3)4)24(20)30-28(34)31-25-23(18-9-6-10-19(15-18)35-5)22-13-8-14-29-26(22)32-27(25)33/h6-17H,1-5H3,(H,29,32,33)(H2,30,31,34)
• InChIKey: ICBSCIZIINIGGO-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 96.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea?

The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea (CID 22106214) is 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea.

What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea?

The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea is COc1cccc(-c2c(NC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)[nH]c3ncccc23)c1.

What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea?

The InChIKey is ICBSCIZIINIGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-16(2)20-11-7-12-21(17(3)4)24(20)30-28(34)31-25-23(18-9-6-10-19(15-18)35-5)22-13-8-14-29-26(22)32-27(25)33/h6-17H,1-5H3,(H,29,32,33)(H2,30,31,34).

What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea?

1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea has a molecular weight of 470.57 g/mol, XLogP of 6.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-methoxyphenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]urea is sourced from PubChem (CID 22106214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).