5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine

C21H17Cl2N3 — CID 87574008

IUPAC5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
SMILESCN.Clc1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C20H12Cl2N2.CH5N/c21-15-8-6-14(7-9-15)19-16(13-4-2-1-3-5-13)12-17-18(24-19)10-11-23-20(17)22;1-2/h1-12H;2H2,1H3
InChIKeyQSTZKIQUAGFKCG-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.85
Rot. Bonds2

About 5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine

5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine (PubChem CID 87574008) has the molecular formula C21H17Cl2N3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
PubChem CID87574008
Molecular FormulaC21H17Cl2N3
Molecular Weight382.29 g/mol
Exact Mass381.08
IUPAC Name5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
SMILESCN.Clc1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C20H12Cl2N2.CH5N/c21-15-8-6-14(7-9-15)19-16(13-4-2-1-3-5-13)12-17-18(24-19)10-11-23-20(17)22;1-2/h1-12H;2H2,1H3
InChIKeyQSTZKIQUAGFKCG-UHFFFAOYSA-N
XLogP5.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine
CID 58524476
1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
CID 58524603
5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine
CID 87574586
2-(4-chlorophenyl)-5-cyclopropyl-3-phenyl-1,6-naphthyridine
CID 67002197
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride
CID 86659516
2-[4-(1-benzylcyclopropyl)phenyl]-5-chloro-3-phenyl-1,6-naphthyridine
CID 87561536
[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
CID 173108160
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine
CID 87585565
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl] N-tert-butylcarbamate
CID 90991099
5-(4-chlorophenyl)-6-phenylpyridin-2-amine;ethane
CID 144684321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine (CID 87574008) is 5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine is CN.Clc1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine?
The InChIKey is QSTZKIQUAGFKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2.CH5N/c21-15-8-6-14(7-9-15)19-16(13-4-2-1-3-5-13)12-17-18(24-19)10-11-23-20(17)22;1-2/h1-12H;2H2,1H3.
What are the key properties of 5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine?
5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine has a molecular weight of 382.29 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine is sourced from PubChem (CID 87574008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).