2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine

C26H29N3 — CID 70904890

IUPAC2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
SMILESCc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(C(C)(C)C)cc3C)cc12
InChIInChI=1S/C26H29N3/c1-16-6-11-21-22-14-18(15-28-24(22)25(27)29-23(21)12-16)7-8-19-9-10-20(13-17(19)2)26(3,4)5/h6,9-15H,7-8H2,1-5H3,(H2,27,29)
InChIKeyOEEVTNQWEYQOIS-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.06
Rot. Bonds3

About 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine

2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine (PubChem CID 70904890) has the molecular formula C26H29N3 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
PubChem CID70904890
Molecular FormulaC26H29N3
Molecular Weight383.54 g/mol
Exact Mass383.24
IUPAC Name2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
SMILESCc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(C(C)(C)C)cc3C)cc12
InChIInChI=1S/C26H29N3/c1-16-6-11-21-22-14-18(15-28-24(22)25(27)29-23(21)12-16)7-8-19-9-10-20(13-17(19)2)26(3,4)5/h6,9-15H,7-8H2,1-5H3,(H2,27,29)
InChIKeyOEEVTNQWEYQOIS-UHFFFAOYSA-N
XLogP6.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine 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 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine (CID 70904890) is 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine is Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(C(C)(C)C)cc3C)cc12.
What is the InChIKey of 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine?
The InChIKey is OEEVTNQWEYQOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3/c1-16-6-11-21-22-14-18(15-28-24(22)25(27)29-23(21)12-16)7-8-19-9-10-20(13-17(19)2)26(3,4)5/h6,9-15H,7-8H2,1-5H3,(H2,27,29).
What are the key properties of 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine?
2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine has a molecular weight of 383.54 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 70904890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).