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

C18H20N4O2 — CID 87135372

IUPACN-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide
SMILESCc1cccc2cc3c(=O)[nH]cc(C(=O)NC(C)N(C)C)c3nc12
InChIInChI=1S/C18H20N4O2/c1-10-6-5-7-12-8-13-16(21-15(10)12)14(9-19-17(13)23)18(24)20-11(2)22(3)4/h5-9,11H,1-4H3,(H,19,23)(H,20,24)
InChIKeyKPKWNHMOWJIPRB-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.02
Rot. Bonds3

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

N-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide (PubChem CID 87135372) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide
PubChem CID87135372
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide
SMILESCc1cccc2cc3c(=O)[nH]cc(C(=O)NC(C)N(C)C)c3nc12
InChIInChI=1S/C18H20N4O2/c1-10-6-5-7-12-8-13-16(21-15(10)12)14(9-19-17(13)23)18(24)20-11(2)22(3)4/h5-9,11H,1-4H3,(H,19,23)(H,20,24)
InChIKeyKPKWNHMOWJIPRB-UHFFFAOYSA-N
XLogP2.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide?
The IUPAC name of N-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide (CID 87135372) is N-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide is Cc1cccc2cc3c(=O)[nH]cc(C(=O)NC(C)N(C)C)c3nc12.
What is the InChIKey of N-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide?
The InChIKey is KPKWNHMOWJIPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10-6-5-7-12-8-13-16(21-15(10)12)14(9-19-17(13)23)18(24)20-11(2)22(3)4/h5-9,11H,1-4H3,(H,19,23)(H,20,24).
What are the key properties of N-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide?
N-[1-(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 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethyl]-6-methyl-1-oxo-2H-benzo[b][1,6]naphthyridine-4-carboxamide is sourced from PubChem (CID 87135372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).