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

C14H13N3 — CID 780996

IUPAC2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
SMILESCc1cc(C)c2c(N)c3ccccc3nc2n1
InChIInChI=1S/C14H13N3/c1-8-7-9(2)16-14-12(8)13(15)10-5-3-4-6-11(10)17-14/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyTZNYLDDNIITWPM-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.98
Rot. Bonds

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

2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine (PubChem CID 780996) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine.

Molecular Properties

Compound Name2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
PubChem CID780996
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
SMILESCc1cc(C)c2c(N)c3ccccc3nc2n1
InChIInChI=1S/C14H13N3/c1-8-7-9(2)16-14-12(8)13(15)10-5-3-4-6-11(10)17-14/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyTZNYLDDNIITWPM-UHFFFAOYSA-N
XLogP2.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.98
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-dimethylbenzo[b][1,8]naphthyridin-5-amine?
The IUPAC name of 2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine (CID 780996) is 2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine.
What is the SMILES notation for 2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine?
The canonical SMILES for 2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine is Cc1cc(C)c2c(N)c3ccccc3nc2n1.
What is the InChIKey of 2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine?
The InChIKey is TZNYLDDNIITWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-8-7-9(2)16-14-12(8)13(15)10-5-3-4-6-11(10)17-14/h3-7H,1-2H3,(H2,15,16,17).
What are the key properties of 2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine?
2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine has a molecular weight of 223.28 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine is sourced from PubChem (CID 780996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).