5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide

C22H19ClN4O2 — CID 57400788

IUPAC5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide
SMILESCOCCNC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C22H19ClN4O2/c1-29-11-10-25-22(28)18-7-3-6-16-19-13-24-9-8-17(19)21(27-20(16)18)26-15-5-2-4-14(23)12-15/h2-9,12-13H,10-11H2,1H3,(H,25,28)(H,26,27)
InChIKeyCPQINKSLOKLYSY-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.56
Rot. Bonds6

About 5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide

5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide (PubChem CID 57400788) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide
PubChem CID57400788
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide
SMILESCOCCNC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C22H19ClN4O2/c1-29-11-10-25-22(28)18-7-3-6-16-19-13-24-9-8-17(19)21(27-20(16)18)26-15-5-2-4-14(23)12-15/h2-9,12-13H,10-11H2,1H3,(H,25,28)(H,26,27)
InChIKeyCPQINKSLOKLYSY-UHFFFAOYSA-N
XLogP4.56
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide (CID 57400788) is 5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide is COCCNC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide?
The InChIKey is CPQINKSLOKLYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-29-11-10-25-22(28)18-7-3-6-16-19-13-24-9-8-17(19)21(27-20(16)18)26-15-5-2-4-14(23)12-15/h2-9,12-13H,10-11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide?
5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-(2-methoxyethyl)benzo[c][2,6]naphthyridine-7-carboxamide is sourced from PubChem (CID 57400788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).