[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium

C30H24N4+2 — CID 58524677

IUPAC[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(-c4cccc5c[nH+]ccc45)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C30H22N4/c31-18-20-9-11-22(12-10-20)29-26(21-5-2-1-3-6-21)17-27-28(34-29)14-16-33-30(27)25-8-4-7-23-19-32-15-13-24(23)25/h1-17,19H,18,31H2/p+2
InChIKeySXMXXUHAYSCVTJ-UHFFFAOYSA-P
MW440.55 g/mol
LogP5.34
Rot. Bonds4

About [4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium

[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium (PubChem CID 58524677) has the molecular formula C30H24N4+2 and a molecular weight of 440.55 g/mol. Its IUPAC name is [4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium.

Molecular Properties

Compound Name[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
PubChem CID58524677
Molecular FormulaC30H24N4+2
Molecular Weight440.55 g/mol
Exact Mass440.20
IUPAC Name[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(-c4cccc5c[nH+]ccc45)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C30H22N4/c31-18-20-9-11-22(12-10-20)29-26(21-5-2-1-3-6-21)17-27-28(34-29)14-16-33-30(27)25-8-4-7-23-19-32-15-13-24(23)25/h1-17,19H,18,31H2/p+2
InChIKeySXMXXUHAYSCVTJ-UHFFFAOYSA-P
XLogP5.34
TPSA67.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[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-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524866
[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524870
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524392
[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
CID 87232560
[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride
CID 86659519
[4-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524736
[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
CID 123711082
[4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524568
[4-[5-(2-hydroxyethylamino)-3-phenyl-1,6-naphthyridin-6-ium-2-yl]phenyl]methylazanium dichloride
CID 87232721
[4-[3-phenyl-5-(3-pyrazin-4-ium-2-yl-1H-1,2,4-triazol-5-yl)-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 162327880

Frequently Asked Questions

What is the IUPAC name of [4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium?
The IUPAC name of [4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium (CID 58524677) is [4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium.
What is the SMILES notation for [4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium?
The canonical SMILES for [4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium is [NH3+]Cc1ccc(-c2nc3ccnc(-c4cccc5c[nH+]ccc45)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium?
The InChIKey is SXMXXUHAYSCVTJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H22N4/c31-18-20-9-11-22(12-10-20)29-26(21-5-2-1-3-6-21)17-27-28(34-29)14-16-33-30(27)25-8-4-7-23-19-32-15-13-24(23)25/h1-17,19H,18,31H2/p+2.
What are the key properties of [4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium?
[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium has a molecular weight of 440.55 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium is sourced from PubChem (CID 58524677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).