5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide

C19H12ClN3O — CID 57394445

IUPAC5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12
InChIInChI=1S/C19H12ClN3O/c20-13-4-1-11(2-5-13)18-15-7-8-22-10-16(15)14-6-3-12(19(21)24)9-17(14)23-18/h1-10H,(H2,21,24)
InChIKeyLOJQISPFNMBOGL-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.20
Rot. Bonds2

About 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide

5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide (PubChem CID 57394445) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide
PubChem CID57394445
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12
InChIInChI=1S/C19H12ClN3O/c20-13-4-1-11(2-5-13)18-15-7-8-22-10-16(15)14-6-3-12(19(21)24)9-17(14)23-18/h1-10H,(H2,21,24)
InChIKeyLOJQISPFNMBOGL-UHFFFAOYSA-N
XLogP4.20
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide (CID 57394445) is 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide is NC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12.
What is the InChIKey of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide?
The InChIKey is LOJQISPFNMBOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c20-13-4-1-11(2-5-13)18-15-7-8-22-10-16(15)14-6-3-12(19(21)24)9-17(14)23-18/h1-10H,(H2,21,24).
What are the key properties of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide?
5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide is sourced from PubChem (CID 57394445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).