N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine

C24H25N3O2 — CID 58168204

IUPACN-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine
SMILESCOc1cc2c(Nc3ccc(C(C)(C)C)cc3)nc3ncccc3c2cc1OC
InChIInChI=1S/C24H25N3O2/c1-24(2,3)15-8-10-16(11-9-15)26-23-19-14-21(29-5)20(28-4)13-18(19)17-7-6-12-25-22(17)27-23/h6-14H,1-5H3,(H,25,26,27)
InChIKeyREEQEZCNGWUHTB-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.84
Rot. Bonds4

About N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine

N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine (PubChem CID 58168204) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine
PubChem CID58168204
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine
SMILESCOc1cc2c(Nc3ccc(C(C)(C)C)cc3)nc3ncccc3c2cc1OC
InChIInChI=1S/C24H25N3O2/c1-24(2,3)15-8-10-16(11-9-15)26-23-19-14-21(29-5)20(28-4)13-18(19)17-7-6-12-25-22(17)27-23/h6-14H,1-5H3,(H,25,26,27)
InChIKeyREEQEZCNGWUHTB-UHFFFAOYSA-N
XLogP5.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine?
The IUPAC name of N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine (CID 58168204) is N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine is COc1cc2c(Nc3ccc(C(C)(C)C)cc3)nc3ncccc3c2cc1OC.
What is the InChIKey of N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine?
The InChIKey is REEQEZCNGWUHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-24(2,3)15-8-10-16(11-9-15)26-23-19-14-21(29-5)20(28-4)13-18(19)17-7-6-12-25-22(17)27-23/h6-14H,1-5H3,(H,25,26,27).
What are the key properties of N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine?
N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine has a molecular weight of 387.48 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine is sourced from PubChem (CID 58168204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).