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'}

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Related Compounds

2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylanilino]acetic acid
CID 66889785
4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol
CID 58213550
5-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]pentyl-methylphosphinic acid
CID 121440387
2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethylperoxy-(1,1-difluoropropyl)phosphinic acid
CID 87255838
2-[2-[4-(6-diethoxyphosphorylhexoxy)-2-methylphenyl]ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
CID 86651458
4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-2-ethyl-3-methylbenzoic acid
CID 67212858
8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine
CID 67003796
2-[2-[4-(6-diethoxyphosphoryl-6,6-difluorohexoxy)-2-methylphenyl]ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
CID 86651459
[6-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorohexyl] diethyl phosphate
CID 152566239
[3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium
CID 137289131
8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine
CID 163664371
2-[2-[4-[5-(dimethylamino)-4-methylpentan-2-yl]phenyl]ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
CID 58213469

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).