2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile

C24H15N3O2 — CID 15261533

IUPAC2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile
SMILESCCOc1nc2nc3c(cc2c(-c2ccccc2)c1C#N)C(=O)c1ccccc1-3
InChIInChI=1S/C24H15N3O2/c1-2-29-24-19(13-25)20(14-8-4-3-5-9-14)17-12-18-21(26-23(17)27-24)15-10-6-7-11-16(15)22(18)28/h3-12H,2H2,1H3
InChIKeyFXLBRZGMVZMRHR-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.78
Rot. Bonds3

About 2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile

2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile (PubChem CID 15261533) has the molecular formula C24H15N3O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile
PubChem CID15261533
Molecular FormulaC24H15N3O2
Molecular Weight377.40 g/mol
Exact Mass377.12
IUPAC Name2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile
SMILESCCOc1nc2nc3c(cc2c(-c2ccccc2)c1C#N)C(=O)c1ccccc1-3
InChIInChI=1S/C24H15N3O2/c1-2-29-24-19(13-25)20(14-8-4-3-5-9-14)17-12-18-21(26-23(17)27-24)15-10-6-7-11-16(15)22(18)28/h3-12H,2H2,1H3
InChIKeyFXLBRZGMVZMRHR-UHFFFAOYSA-N
XLogP4.78
TPSA75.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

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
2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
CID 10994790
2-ethoxy-6-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-4-phenylpyridine-3-carbonitrile
CID 135753503
2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
CID 14936511
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile
CID 86291562
2-amino-6-ethoxy-4-(2-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 137301601
2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 171988953
6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile
CID 171429616
4-(4-benzylpiperazin-1-yl)-2-(dimethylamino)-7-ethoxy-5-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 171988952

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile (CID 15261533) is 2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile is CCOc1nc2nc3c(cc2c(-c2ccccc2)c1C#N)C(=O)c1ccccc1-3.
What is the InChIKey of 2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile?
The InChIKey is FXLBRZGMVZMRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O2/c1-2-29-24-19(13-25)20(14-8-4-3-5-9-14)17-12-18-21(26-23(17)27-24)15-10-6-7-11-16(15)22(18)28/h3-12H,2H2,1H3.
What are the key properties of 2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile?
2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile has a molecular weight of 377.40 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile is sourced from PubChem (CID 15261533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).