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

C15H15N3 — CID 698490

IUPAC2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine
SMILESCc1cc(C)c2c(N)c3cccc(C)c3nc2n1
InChIInChI=1S/C15H15N3/c1-8-5-4-6-11-13(16)12-9(2)7-10(3)17-15(12)18-14(8)11/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyWRUVTYDQVPMYDZ-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.29
Rot. Bonds

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

2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine (PubChem CID 698490) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine.

Molecular Properties

Compound Name2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine
PubChem CID698490
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine
SMILESCc1cc(C)c2c(N)c3cccc(C)c3nc2n1
InChIInChI=1S/C15H15N3/c1-8-5-4-6-11-13(16)12-9(2)7-10(3)17-15(12)18-14(8)11/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyWRUVTYDQVPMYDZ-UHFFFAOYSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.29
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 2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine?
The IUPAC name of 2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine (CID 698490) is 2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine.
What is the SMILES notation for 2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine?
The canonical SMILES for 2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine is Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1.
What is the InChIKey of 2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine?
The InChIKey is WRUVTYDQVPMYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-8-5-4-6-11-13(16)12-9(2)7-10(3)17-15(12)18-14(8)11/h4-7H,1-3H3,(H2,16,17,18).
What are the key properties of 2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine?
2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine has a molecular weight of 237.31 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-amine is sourced from PubChem (CID 698490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).