N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

C20H13ClN6 — CID 56935642

IUPACN-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESClc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1
InChIInChI=1S/C20H13ClN6/c21-12-4-6-13(7-5-12)25-20-15-8-9-22-10-17(15)14-2-1-3-16(18(14)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
InChIKeyKWTSXUHMAHLNMY-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.97
Rot. Bonds3

About N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 56935642) has the molecular formula C20H13ClN6 and a molecular weight of 372.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
PubChem CID56935642
Molecular FormulaC20H13ClN6
Molecular Weight372.82 g/mol
Exact Mass372.09
IUPAC NameN-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESClc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1
InChIInChI=1S/C20H13ClN6/c21-12-4-6-13(7-5-12)25-20-15-8-9-22-10-17(15)14-2-1-3-16(18(14)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
InChIKeyKWTSXUHMAHLNMY-UHFFFAOYSA-N
XLogP4.97
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 56935642) is N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is Clc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is KWTSXUHMAHLNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6/c21-12-4-6-13(7-5-12)25-20-15-8-9-22-10-17(15)14-2-1-3-16(18(14)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27).
What are the key properties of N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 372.82 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 56935642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).