2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride

C16H17ClN4O2 — CID 45261460

IUPAC2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride
SMILESCN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2n1.Cl
InChIInChI=1S/C16H16N4O2.ClH/c1-20(2)9-14(21)18-13-8-7-12-15(19-13)10-5-3-4-6-11(10)16(22)17-12;/h3-8H,9H2,1-2H3,(H,17,22)(H,18,19,21);1H
InChIKeyRRPQLFCBEMASIT-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.00
Rot. Bonds3

About 2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride

2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride (PubChem CID 45261460) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride
PubChem CID45261460
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride
SMILESCN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2n1.Cl
InChIInChI=1S/C16H16N4O2.ClH/c1-20(2)9-14(21)18-13-8-7-12-15(19-13)10-5-3-4-6-11(10)16(22)17-12;/h3-8H,9H2,1-2H3,(H,17,22)(H,18,19,21);1H
InChIKeyRRPQLFCBEMASIT-UHFFFAOYSA-N
XLogP2.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride (CID 45261460) is 2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride is CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2n1.Cl.
What is the InChIKey of 2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride?
The InChIKey is RRPQLFCBEMASIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2.ClH/c1-20(2)9-14(21)18-13-8-7-12-15(19-13)10-5-3-4-6-11(10)16(22)17-12;/h3-8H,9H2,1-2H3,(H,17,22)(H,18,19,21);1H.
What are the key properties of 2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride?
2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride has a molecular weight of 332.79 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(6-oxo-5H-benzo[h][1,5]naphthyridin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 45261460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).