2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide

C26H28N4O4 — CID 11123392

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCCN(C)C)c3nc4c(C)cccc4cc3c2=O)cc1OC
InChIInChI=1S/C26H28N4O4/c1-16-7-6-8-17-13-19-24(28-23(16)17)20(25(31)27-11-12-29(2)3)15-30(26(19)32)18-9-10-21(33-4)22(14-18)34-5/h6-10,13-15H,11-12H2,1-5H3,(H,27,31)
InChIKeyGNEBWYREXBRIFC-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.16
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide (PubChem CID 11123392) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
PubChem CID11123392
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCCN(C)C)c3nc4c(C)cccc4cc3c2=O)cc1OC
InChIInChI=1S/C26H28N4O4/c1-16-7-6-8-17-13-19-24(28-23(16)17)20(25(31)27-11-12-29(2)3)15-30(26(19)32)18-9-10-21(33-4)22(14-18)34-5/h6-10,13-15H,11-12H2,1-5H3,(H,27,31)
InChIKeyGNEBWYREXBRIFC-UHFFFAOYSA-N
XLogP3.16
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide (CID 11123392) is 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide is COc1ccc(-n2cc(C(=O)NCCN(C)C)c3nc4c(C)cccc4cc3c2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The InChIKey is GNEBWYREXBRIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-16-7-6-8-17-13-19-24(28-23(16)17)20(25(31)27-11-12-29(2)3)15-30(26(19)32)18-9-10-21(33-4)22(14-18)34-5/h6-10,13-15H,11-12H2,1-5H3,(H,27,31).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide is sourced from PubChem (CID 11123392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).