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

C22H19ClN4O — CID 57393893

IUPAC5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12
InChIInChI=1S/C22H19ClN4O/c1-13(2)25-22(28)16-7-5-6-14-17-12-24-11-10-15(17)21(27-20(14)16)26-19-9-4-3-8-18(19)23/h3-13H,1-2H3,(H,25,28)(H,26,27)
InChIKeyQBGYLZQNONTKJL-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.32
Rot. Bonds4

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

5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide (PubChem CID 57393893) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide
PubChem CID57393893
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12
InChIInChI=1S/C22H19ClN4O/c1-13(2)25-22(28)16-7-5-6-14-17-12-24-11-10-15(17)21(27-20(14)16)26-19-9-4-3-8-18(19)23/h3-13H,1-2H3,(H,25,28)(H,26,27)
InChIKeyQBGYLZQNONTKJL-UHFFFAOYSA-N
XLogP5.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.32
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-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide?
The IUPAC name of 5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide (CID 57393893) is 5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide?
The canonical SMILES for 5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide is CC(C)NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12.
What is the InChIKey of 5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide?
The InChIKey is QBGYLZQNONTKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-13(2)25-22(28)16-7-5-6-14-17-12-24-11-10-15(17)21(27-20(14)16)26-19-9-4-3-8-18(19)23/h3-13H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide?
5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 5.32, 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-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide is sourced from PubChem (CID 57393893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).