methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate

C24H18N4O3 — CID 15665366

IUPACmethyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2cnc3c4cccnc4n(-c4ccccc4)c(=O)c32)cc1
InChIInChI=1S/C24H18N4O3/c1-31-24(30)17-11-9-16(10-12-17)14-27-15-26-20-19-8-5-13-25-22(19)28(23(29)21(20)27)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3
InChIKeyMTWIVUMSDQWQGN-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.57
Rot. Bonds4

About methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate

methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate (PubChem CID 15665366) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate
PubChem CID15665366
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Namemethyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2cnc3c4cccnc4n(-c4ccccc4)c(=O)c32)cc1
InChIInChI=1S/C24H18N4O3/c1-31-24(30)17-11-9-16(10-12-17)14-27-15-26-20-19-8-5-13-25-22(19)28(23(29)21(20)27)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3
InChIKeyMTWIVUMSDQWQGN-UHFFFAOYSA-N
XLogP3.57
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate (CID 15665366) is methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate is COC(=O)c1ccc(Cn2cnc3c4cccnc4n(-c4ccccc4)c(=O)c32)cc1.
What is the InChIKey of methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate?
The InChIKey is MTWIVUMSDQWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-31-24(30)17-11-9-16(10-12-17)14-27-15-26-20-19-8-5-13-25-22(19)28(23(29)21(20)27)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3.
What are the key properties of methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate?
methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate has a molecular weight of 410.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)methyl]benzoate is sourced from PubChem (CID 15665366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).