5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid

C17H18N4O2 — CID 50942338

IUPAC5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCN(C)CCNc1nc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C17H18N4O2/c1-21(2)8-7-19-16-13-5-6-18-10-14(13)12-4-3-11(17(22)23)9-15(12)20-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,22,23)
InChIKeyUTTHZOMQMFDLBQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.45
Rot. Bonds5

About 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid

5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 50942338) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID50942338
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCN(C)CCNc1nc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C17H18N4O2/c1-21(2)8-7-19-16-13-5-6-18-10-14(13)12-4-3-11(17(22)23)9-15(12)20-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,22,23)
InChIKeyUTTHZOMQMFDLBQ-UHFFFAOYSA-N
XLogP2.45
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 50942338) is 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid is CN(C)CCNc1nc2cc(C(=O)O)ccc2c2cnccc12.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is UTTHZOMQMFDLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21(2)8-7-19-16-13-5-6-18-10-14(13)12-4-3-11(17(22)23)9-15(12)20-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,22,23).
What are the key properties of 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 310.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).