8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine

C24H21N3 — CID 164709359

IUPAC8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine
SMILESCC(C)(C)c1cc(-c2cc3c(ccc4nccn43)cn2)cc2ccccc12
InChIInChI=1S/C24H21N3/c1-24(2,3)20-13-18(12-16-6-4-5-7-19(16)20)21-14-22-17(15-26-21)8-9-23-25-10-11-27(22)23/h4-15H,1-3H3
InChIKeyXJQIZXHUHCTLHQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.00
Rot. Bonds1

About 8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine

8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine (PubChem CID 164709359) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine.

Molecular Properties

Compound Name8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine
PubChem CID164709359
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine
SMILESCC(C)(C)c1cc(-c2cc3c(ccc4nccn43)cn2)cc2ccccc12
InChIInChI=1S/C24H21N3/c1-24(2,3)20-13-18(12-16-6-4-5-7-19(16)20)21-14-22-17(15-26-21)8-9-23-25-10-11-27(22)23/h4-15H,1-3H3
InChIKeyXJQIZXHUHCTLHQ-UHFFFAOYSA-N
XLogP6.00
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine?
The IUPAC name of 8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine (CID 164709359) is 8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine.
What is the SMILES notation for 8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine?
The canonical SMILES for 8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine is CC(C)(C)c1cc(-c2cc3c(ccc4nccn43)cn2)cc2ccccc12.
What is the InChIKey of 8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine?
The InChIKey is XJQIZXHUHCTLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-24(2,3)20-13-18(12-16-6-4-5-7-19(16)20)21-14-22-17(15-26-21)8-9-23-25-10-11-27(22)23/h4-15H,1-3H3.
What are the key properties of 8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine?
8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine has a molecular weight of 351.45 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butylnaphthalen-2-yl)imidazo[1,2-a][1,6]naphthyridine is sourced from PubChem (CID 164709359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).