4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline

C25H15N5O2 — CID 15867137

IUPAC4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline
SMILESO=[N+]([O-])c1ccc(-n2nnc3c4ccccc4nc(-c4ccc5ccccc5c4)c32)cc1
InChIInChI=1S/C25H15N5O2/c31-30(32)20-13-11-19(12-14-20)29-25-23(18-10-9-16-5-1-2-6-17(16)15-18)26-22-8-4-3-7-21(22)24(25)27-28-29/h1-15H
InChIKeyXYYCLUVLQGQWSO-UHFFFAOYSA-N
MW417.43 g/mol
LogP5.70
Rot. Bonds3

About 4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline

4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline (PubChem CID 15867137) has the molecular formula C25H15N5O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline
PubChem CID15867137
Molecular FormulaC25H15N5O2
Molecular Weight417.43 g/mol
Exact Mass417.12
IUPAC Name4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline
SMILESO=[N+]([O-])c1ccc(-n2nnc3c4ccccc4nc(-c4ccc5ccccc5c4)c32)cc1
InChIInChI=1S/C25H15N5O2/c31-30(32)20-13-11-19(12-14-20)29-25-23(18-10-9-16-5-1-2-6-17(16)15-18)26-22-8-4-3-7-21(22)24(25)27-28-29/h1-15H
InChIKeyXYYCLUVLQGQWSO-UHFFFAOYSA-N
XLogP5.70
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-(4-nitrophenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 101436702
9-(4-nitrophenyl)-12-phenyl-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
CID 101436709
9-[5-(4-nitrophenyl)tetrazol-1-yl]acridine
CID 101223337
N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine
CID 45139334
1-(4-bromophenyl)-3-(4-nitrophenyl)pyrazolo[4,5-c]cinnoline
CID 135008918
9-[3-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393777
6-nitro-3-phenyl-1,2,3-benzotriazin-4-one
CID 91824463
9-(6-nitronaphthalen-2-yl)anthracene
CID 174679539
1-(4-nitrophenyl)pyrido[2,3-b]indole
CID 67500864
[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone
CID 102418781
3-(4-nitrophenyl)-2-phenylquinazolin-4-one
CID 921318
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline?
The IUPAC name of 4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline (CID 15867137) is 4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline.
What is the SMILES notation for 4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline?
The canonical SMILES for 4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline is O=[N+]([O-])c1ccc(-n2nnc3c4ccccc4nc(-c4ccc5ccccc5c4)c32)cc1.
What is the InChIKey of 4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline?
The InChIKey is XYYCLUVLQGQWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N5O2/c31-30(32)20-13-11-19(12-14-20)29-25-23(18-10-9-16-5-1-2-6-17(16)15-18)26-22-8-4-3-7-21(22)24(25)27-28-29/h1-15H.
What are the key properties of 4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline?
4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline has a molecular weight of 417.43 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline is sourced from PubChem (CID 15867137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).