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

C18H20N4O2 — CID 10958297

IUPACN-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide
SMILESCc1cccc2cc3c(=O)[nH]cc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C18H20N4O2/c1-11-5-4-6-12-9-13-16(21-15(11)12)14(10-20-17(13)23)18(24)19-7-8-22(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyMPCXYXJVELUNCQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.68
Rot. Bonds4

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

N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide (PubChem CID 10958297) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide
PubChem CID10958297
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide
SMILESCc1cccc2cc3c(=O)[nH]cc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C18H20N4O2/c1-11-5-4-6-12-9-13-16(21-15(11)12)14(10-20-17(13)23)18(24)19-7-8-22(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyMPCXYXJVELUNCQ-UHFFFAOYSA-N
XLogP1.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide (CID 10958297) is N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide is Cc1cccc2cc3c(=O)[nH]cc(C(=O)NCCN(C)C)c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide?
The InChIKey is MPCXYXJVELUNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-5-4-6-12-9-13-16(21-15(11)12)14(10-20-17(13)23)18(24)19-7-8-22(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,24)(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide is sourced from PubChem (CID 10958297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).