phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate

C26H25N3O4 — CID 139924711

About phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate

phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate (PubChem CID 139924711) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate.

Molecular Properties

• Compound Name: phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate
• PubChem CID: 139924711
• Molecular Formula: C26H25N3O4
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate
• SMILES: CCCCn1c(=O)c(NC(=O)Oc2ccccc2)c(-c2cccc(OC)c2)c2cccnc21
• InChI: InChI=1S/C26H25N3O4/c1-3-4-16-29-24-21(14-9-15-27-24)22(18-10-8-13-20(17-18)32-2)23(25(29)30)28-26(31)33-19-11-6-5-7-12-19/h5-15,17H,3-4,16H2,1-2H3,(H,28,31)
• InChIKey: ANEIOEVGJZBTBP-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate?

The IUPAC name of phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate (CID 139924711) is phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate.

What is the SMILES notation for phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate?

The canonical SMILES for phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate is CCCCn1c(=O)c(NC(=O)Oc2ccccc2)c(-c2cccc(OC)c2)c2cccnc21.

What is the InChIKey of phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate?

The InChIKey is ANEIOEVGJZBTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-3-4-16-29-24-21(14-9-15-27-24)22(18-10-8-13-20(17-18)32-2)23(25(29)30)28-26(31)33-19-11-6-5-7-12-19/h5-15,17H,3-4,16H2,1-2H3,(H,28,31).

What are the key properties of phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate?

phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate has a molecular weight of 443.50 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 139924711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).