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

C19H13ClN4O — CID 57402606

IUPAC5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxamide
SMILESNC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C19H13ClN4O/c20-11-3-1-4-12(9-11)23-19-14-7-8-22-10-16(14)13-5-2-6-15(18(21)25)17(13)24-19/h1-10H,(H2,21,25)(H,23,24)
InChIKeyFSCBAXKYVITFPI-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.28
Rot. Bonds3

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

5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxamide (PubChem CID 57402606) 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-7-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxamide
PubChem CID57402606
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxamide
SMILESNC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C19H13ClN4O/c20-11-3-1-4-12(9-11)23-19-14-7-8-22-10-16(14)13-5-2-6-15(18(21)25)17(13)24-19/h1-10H,(H2,21,25)(H,23,24)
InChIKeyFSCBAXKYVITFPI-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-7-carboxamide?
The IUPAC name of 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxamide (CID 57402606) is 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxamide is NC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxamide?
The InChIKey is FSCBAXKYVITFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-11-3-1-4-12(9-11)23-19-14-7-8-22-10-16(14)13-5-2-6-15(18(21)25)17(13)24-19/h1-10H,(H2,21,25)(H,23,24).
What are the key properties of 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxamide?
5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-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-7-carboxamide is sourced from PubChem (CID 57402606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).