[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium

C29H24N3O2+ — CID 58524164

IUPAC[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILESCC(=O)c1cccc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(C[NH3+])cc4)nc23)c1
InChIInChI=1S/C29H23N3O2/c1-18(33)22-8-5-9-23(14-22)26-17-31-29(34)25-15-24(20-6-3-2-4-7-20)27(32-28(25)26)21-12-10-19(16-30)11-13-21/h2-15,17H,16,30H2,1H3,(H,31,34)/p+1
InChIKeyMXTNFSVKGMOHQY-UHFFFAOYSA-O
MW446.53 g/mol
LogP4.87
Rot. Bonds5

About [4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium

[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 58524164) has the molecular formula C29H24N3O2+ and a molecular weight of 446.53 g/mol. Its IUPAC name is [4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
PubChem CID58524164
Molecular FormulaC29H24N3O2+
Molecular Weight446.53 g/mol
Exact Mass446.19
IUPAC Name[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILESCC(=O)c1cccc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(C[NH3+])cc4)nc23)c1
InChIInChI=1S/C29H23N3O2/c1-18(33)22-8-5-9-23(14-22)26-17-31-29(34)25-15-24(20-6-3-2-4-7-20)27(32-28(25)26)21-12-10-19(16-30)11-13-21/h2-15,17H,16,30H2,1H3,(H,31,34)/p+1
InChIKeyMXTNFSVKGMOHQY-UHFFFAOYSA-O
XLogP4.87
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The IUPAC name of [4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 58524164) is [4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The canonical SMILES for [4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium is CC(=O)c1cccc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(C[NH3+])cc4)nc23)c1.
What is the InChIKey of [4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The InChIKey is MXTNFSVKGMOHQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H23N3O2/c1-18(33)22-8-5-9-23(14-22)26-17-31-29(34)25-15-24(20-6-3-2-4-7-20)27(32-28(25)26)21-12-10-19(16-30)11-13-21/h2-15,17H,16,30H2,1H3,(H,31,34)/p+1.
What are the key properties of [4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium?
[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 446.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 58524164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).