8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one

C18H25N3O — CID 58424906

IUPAC8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one
SMILESCCN(CC)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3C
InChIInChI=1S/C18H25N3O/c1-4-21(5-2)12-13-8-9-14-16(11-13)19-18(22)15-7-6-10-20(3)17(14)15/h8-9,11H,4-7,10,12H2,1-3H3,(H,19,22)
InChIKeyDLOQUEBXYOXDJN-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.75
Rot. Bonds4

About 8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one

8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one (PubChem CID 58424906) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one
PubChem CID58424906
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one
SMILESCCN(CC)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3C
InChIInChI=1S/C18H25N3O/c1-4-21(5-2)12-13-8-9-14-16(11-13)19-18(22)15-7-6-10-20(3)17(14)15/h8-9,11H,4-7,10,12H2,1-3H3,(H,19,22)
InChIKeyDLOQUEBXYOXDJN-UHFFFAOYSA-N
XLogP2.75
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one (CID 58424906) is 8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one is CCN(CC)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3C.
What is the InChIKey of 8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one?
The InChIKey is DLOQUEBXYOXDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-21(5-2)12-13-8-9-14-16(11-13)19-18(22)15-7-6-10-20(3)17(14)15/h8-9,11H,4-7,10,12H2,1-3H3,(H,19,22).
What are the key properties of 8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one?
8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one has a molecular weight of 299.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylaminomethyl)-1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).