5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid

C18H19N3O3 — CID 50942343

IUPAC5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCC(C)OCCNc1nc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C18H19N3O3/c1-11(2)24-8-7-20-17-14-5-6-19-10-15(14)13-4-3-12(18(22)23)9-16(13)21-17/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZBMNTEBOGFAPNP-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.32
Rot. Bonds6

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

5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 50942343) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID50942343
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCC(C)OCCNc1nc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C18H19N3O3/c1-11(2)24-8-7-20-17-14-5-6-19-10-15(14)13-4-3-12(18(22)23)9-16(13)21-17/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZBMNTEBOGFAPNP-UHFFFAOYSA-N
XLogP3.32
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 50942343) is 5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid is CC(C)OCCNc1nc2cc(C(=O)O)ccc2c2cnccc12.
What is the InChIKey of 5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is ZBMNTEBOGFAPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(2)24-8-7-20-17-14-5-6-19-10-15(14)13-4-3-12(18(22)23)9-16(13)21-17/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxyethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).