5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide

C19H13ClN4O — CID 50942630

IUPAC5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C19H13ClN4O/c20-12-2-1-3-13(9-12)23-19-15-6-7-22-10-16(15)14-5-4-11(18(21)25)8-17(14)24-19/h1-10H,(H2,21,25)(H,23,24)
InChIKeyJPYQFPGTGGLOMD-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.28
Rot. Bonds3

About 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide

5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide (PubChem CID 50942630) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide
PubChem CID50942630
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C19H13ClN4O/c20-12-2-1-3-13(9-12)23-19-15-6-7-22-10-16(15)14-5-4-11(18(21)25)8-17(14)24-19/h1-10H,(H2,21,25)(H,23,24)
InChIKeyJPYQFPGTGGLOMD-UHFFFAOYSA-N
XLogP4.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.28
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-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide?
The IUPAC name of 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide (CID 50942630) is 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide is NC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide?
The InChIKey is JPYQFPGTGGLOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-12-2-1-3-13(9-12)23-19-15-6-7-22-10-16(15)14-5-4-11(18(21)25)8-17(14)24-19/h1-10H,(H2,21,25)(H,23,24).
What are the key properties of 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide?
5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide is sourced from PubChem (CID 50942630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).