3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline

C26H24N2O — CID 171782119

IUPAC3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline
SMILESCOc1ccc(-c2cc3c4ccccc4nn3c3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C26H24N2O/c1-26(2,3)18-11-14-24-22(15-18)21(17-9-12-19(29-4)13-10-17)16-25-20-7-5-6-8-23(20)27-28(24)25/h5-16H,1-4H3
InChIKeyUCOHDZPCPCUALX-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.61
Rot. Bonds2

About 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline

3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline (PubChem CID 171782119) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline.

Molecular Properties

Compound Name3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline
PubChem CID171782119
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline
SMILESCOc1ccc(-c2cc3c4ccccc4nn3c3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C26H24N2O/c1-26(2,3)18-11-14-24-22(15-18)21(17-9-12-19(29-4)13-10-17)16-25-20-7-5-6-8-23(20)27-28(24)25/h5-16H,1-4H3
InChIKeyUCOHDZPCPCUALX-UHFFFAOYSA-N
XLogP6.61
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline?
The IUPAC name of 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline (CID 171782119) is 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline.
What is the SMILES notation for 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline?
The canonical SMILES for 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline is COc1ccc(-c2cc3c4ccccc4nn3c3ccc(C(C)(C)C)cc23)cc1.
What is the InChIKey of 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline?
The InChIKey is UCOHDZPCPCUALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-26(2,3)18-11-14-24-22(15-18)21(17-9-12-19(29-4)13-10-17)16-25-20-7-5-6-8-23(20)27-28(24)25/h5-16H,1-4H3.
What are the key properties of 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline?
3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline has a molecular weight of 380.49 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(4-methoxyphenyl)indazolo[2,3-a]quinoline is sourced from PubChem (CID 171782119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).