N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide

C18H20N4O2 — CID 11088629

IUPACN-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cn(C)c(=O)c2cc3ccccc3nc12
InChIInChI=1S/C18H20N4O2/c1-21(2)9-8-19-17(23)14-11-22(3)18(24)13-10-12-6-4-5-7-15(12)20-16(13)14/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)
InChIKeyJJXXVZNPRCOPAN-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.38
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide (PubChem CID 11088629) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
PubChem CID11088629
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cn(C)c(=O)c2cc3ccccc3nc12
InChIInChI=1S/C18H20N4O2/c1-21(2)9-8-19-17(23)14-11-22(3)18(24)13-10-12-6-4-5-7-15(12)20-16(13)14/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)
InChIKeyJJXXVZNPRCOPAN-UHFFFAOYSA-N
XLogP1.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide (CID 11088629) is N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide is CN(C)CCNC(=O)c1cn(C)c(=O)c2cc3ccccc3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The InChIKey is JJXXVZNPRCOPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21(2)9-8-19-17(23)14-11-22(3)18(24)13-10-12-6-4-5-7-15(12)20-16(13)14/h4-7,10-11H,8-9H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide is sourced from PubChem (CID 11088629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).