7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine

C16H17N3 — CID 711946

IUPAC7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
SMILESCCc1ccc2nc3nc(C)cc(C)c3c(N)c2c1
InChIInChI=1S/C16H17N3/c1-4-11-5-6-13-12(8-11)15(17)14-9(2)7-10(3)18-16(14)19-13/h5-8H,4H2,1-3H3,(H2,17,18,19)
InChIKeyKQHCYSPQLCJYQP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.54
Rot. Bonds1

About 7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine

7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine (PubChem CID 711946) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine.

Molecular Properties

Compound Name7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
PubChem CID711946
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
SMILESCCc1ccc2nc3nc(C)cc(C)c3c(N)c2c1
InChIInChI=1S/C16H17N3/c1-4-11-5-6-13-12(8-11)15(17)14-9(2)7-10(3)18-16(14)19-13/h5-8H,4H2,1-3H3,(H2,17,18,19)
InChIKeyKQHCYSPQLCJYQP-UHFFFAOYSA-N
XLogP3.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.54
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 7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine?
The IUPAC name of 7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine (CID 711946) is 7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine.
What is the SMILES notation for 7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine?
The canonical SMILES for 7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine is CCc1ccc2nc3nc(C)cc(C)c3c(N)c2c1.
What is the InChIKey of 7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine?
The InChIKey is KQHCYSPQLCJYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-4-11-5-6-13-12(8-11)15(17)14-9(2)7-10(3)18-16(14)19-13/h5-8H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine?
7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine is sourced from PubChem (CID 711946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).