2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine

C16H17N3 — CID 765471

IUPAC2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine
SMILESCc1cc(C)c2nc3nc(C)cc(C)c3c(N)c2c1
InChIInChI=1S/C16H17N3/c1-8-5-10(3)15-12(6-8)14(17)13-9(2)7-11(4)18-16(13)19-15/h5-7H,1-4H3,(H2,17,18,19)
InChIKeyZNPSDSMZKLWRLO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.60
Rot. Bonds

About 2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine

2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine (PubChem CID 765471) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine.

Molecular Properties

Compound Name2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine
PubChem CID765471
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine
SMILESCc1cc(C)c2nc3nc(C)cc(C)c3c(N)c2c1
InChIInChI=1S/C16H17N3/c1-8-5-10(3)15-12(6-8)14(17)13-9(2)7-11(4)18-16(13)19-15/h5-7H,1-4H3,(H2,17,18,19)
InChIKeyZNPSDSMZKLWRLO-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine?
The IUPAC name of 2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine (CID 765471) is 2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine.
What is the SMILES notation for 2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine?
The canonical SMILES for 2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine is Cc1cc(C)c2nc3nc(C)cc(C)c3c(N)c2c1.
What is the InChIKey of 2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine?
The InChIKey is ZNPSDSMZKLWRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-8-5-10(3)15-12(6-8)14(17)13-9(2)7-11(4)18-16(13)19-15/h5-7H,1-4H3,(H2,17,18,19).
What are the key properties of 2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine?
2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine is sourced from PubChem (CID 765471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).