2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile

C29H24N4O5 — CID 10994790

IUPAC2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
SMILESCCOc1nc2nc3ccn(-c4cc(OC)c(OC)c(OC)c4)c(=O)c3cc2c(-c2ccccc2)c1C#N
InChIInChI=1S/C29H24N4O5/c1-5-38-28-21(16-30)25(17-9-7-6-8-10-17)20-15-19-22(31-27(20)32-28)11-12-33(29(19)34)18-13-23(35-2)26(37-4)24(14-18)36-3/h6-15H,5H2,1-4H3
InChIKeyOFIRPMOBPBPYEQ-UHFFFAOYSA-N
MW508.53 g/mol
LogP4.90
Rot. Bonds7

About 2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile

2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile (PubChem CID 10994790) has the molecular formula C29H24N4O5 and a molecular weight of 508.53 g/mol. Its IUPAC name is 2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
PubChem CID10994790
Molecular FormulaC29H24N4O5
Molecular Weight508.53 g/mol
Exact Mass508.17
IUPAC Name2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
SMILESCCOc1nc2nc3ccn(-c4cc(OC)c(OC)c(OC)c4)c(=O)c3cc2c(-c2ccccc2)c1C#N
InChIInChI=1S/C29H24N4O5/c1-5-38-28-21(16-30)25(17-9-7-6-8-10-17)20-15-19-22(31-27(20)32-28)11-12-33(29(19)34)18-13-23(35-2)26(37-4)24(14-18)36-3/h6-15H,5H2,1-4H3
InChIKeyOFIRPMOBPBPYEQ-UHFFFAOYSA-N
XLogP4.90
TPSA108.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.53
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile
CID 15261533
2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
CID 14936511
6-cyano-7-ethoxy-2-methyl-5-phenyl-1,8-naphthyridine-3-carboxamide
CID 15189178
ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate
CID 15189182
2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile
CID 15191501
4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile
CID 134852331
2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 8615264
3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile
CID 86291562
3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6,7-dimethoxyquinoline-4-carboxylic acid
CID 143206559
2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 171988953
2-ethoxy-6-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-4-phenylpyridine-3-carbonitrile
CID 135753503
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile (CID 10994790) is 2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile is CCOc1nc2nc3ccn(-c4cc(OC)c(OC)c(OC)c4)c(=O)c3cc2c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
The InChIKey is OFIRPMOBPBPYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O5/c1-5-38-28-21(16-30)25(17-9-7-6-8-10-17)20-15-19-22(31-27(20)32-28)11-12-33(29(19)34)18-13-23(35-2)26(37-4)24(14-18)36-3/h6-15H,5H2,1-4H3.
What are the key properties of 2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile has a molecular weight of 508.53 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile is sourced from PubChem (CID 10994790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).