N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

C19H12ClN7 — CID 50942632

IUPACN-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESClc1cccc(Nc2nc3cc(-c4nn[nH]n4)ccc3c3cnccc23)c1
InChIInChI=1S/C19H12ClN7/c20-12-2-1-3-13(9-12)22-19-15-6-7-21-10-16(15)14-5-4-11(8-17(14)23-19)18-24-26-27-25-18/h1-10H,(H,22,23)(H,24,25,26,27)
InChIKeyIGKXMIGRJGFVEE-UHFFFAOYSA-N
MW373.81 g/mol
LogP4.36
Rot. Bonds3

About N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 50942632) has the molecular formula C19H12ClN7 and a molecular weight of 373.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
PubChem CID50942632
Molecular FormulaC19H12ClN7
Molecular Weight373.81 g/mol
Exact Mass373.08
IUPAC NameN-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESClc1cccc(Nc2nc3cc(-c4nn[nH]n4)ccc3c3cnccc23)c1
InChIInChI=1S/C19H12ClN7/c20-12-2-1-3-13(9-12)22-19-15-6-7-21-10-16(15)14-5-4-11(8-17(14)23-19)18-24-26-27-25-18/h1-10H,(H,22,23)(H,24,25,26,27)
InChIKeyIGKXMIGRJGFVEE-UHFFFAOYSA-N
XLogP4.36
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 50942632) is N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is Clc1cccc(Nc2nc3cc(-c4nn[nH]n4)ccc3c3cnccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is IGKXMIGRJGFVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN7/c20-12-2-1-3-13(9-12)22-19-15-6-7-21-10-16(15)14-5-4-11(8-17(14)23-19)18-24-26-27-25-18/h1-10H,(H,22,23)(H,24,25,26,27).
What are the key properties of N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 373.81 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 50942632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).