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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Related Compounds

Benzo[c]-2,6-naphthyridin-5-amine, N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)-
CID 44222958
6-Chloro-4-Phenyl-2-(Piperidin-1-Yl)-3-(1h-Tetrazol-5-Yl)quinoline
CID 71556425
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 929366
N'-[(1-tert-butyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine
CID 72725671
N-(7-chloro-4-quinolyl)-N'-(4-pyrrolidin-1-ylpyrimidin-2-yl)propane-1,3-diamine
CID 76310686
2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
CID 3232645
2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 9880709
N2-(3-chlorophenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 20826932
N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222957
N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222970
N-(4-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 56935642

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).