5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide

C21H17ClN4O — CID 57392127

IUPAC5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide
SMILESCCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12
InChIInChI=1S/C21H17ClN4O/c1-2-24-21(27)15-7-5-6-13-16-12-23-11-10-14(16)20(26-19(13)15)25-18-9-4-3-8-17(18)22/h3-12H,2H2,1H3,(H,24,27)(H,25,26)
InChIKeyFOPGQICEKPAAOV-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.93
Rot. Bonds4

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

5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide (PubChem CID 57392127) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide
PubChem CID57392127
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide
SMILESCCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12
InChIInChI=1S/C21H17ClN4O/c1-2-24-21(27)15-7-5-6-13-16-12-23-11-10-14(16)20(26-19(13)15)25-18-9-4-3-8-17(18)22/h3-12H,2H2,1H3,(H,24,27)(H,25,26)
InChIKeyFOPGQICEKPAAOV-UHFFFAOYSA-N
XLogP4.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide?
The IUPAC name of 5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide (CID 57392127) is 5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide?
The canonical SMILES for 5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide is CCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12.
What is the InChIKey of 5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide?
The InChIKey is FOPGQICEKPAAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-2-24-21(27)15-7-5-6-13-16-12-23-11-10-14(16)20(26-19(13)15)25-18-9-4-3-8-17(18)22/h3-12H,2H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide?
5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide is sourced from PubChem (CID 57392127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).