6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one

C16H20N4O2 — CID 21276724

IUPAC6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one
SMILESCC1CC(=O)Nc2nc(OCCN(C)C)c3ncccc3c21
InChIInChI=1S/C16H20N4O2/c1-10-9-12(21)18-15-13(10)11-5-4-6-17-14(11)16(19-15)22-8-7-20(2)3/h4-6,10H,7-9H2,1-3H3,(H,18,19,21)
InChIKeyVYXHQXKCCJAOKM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.02
Rot. Bonds4

About 6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one

6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one (PubChem CID 21276724) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one
PubChem CID21276724
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one
SMILESCC1CC(=O)Nc2nc(OCCN(C)C)c3ncccc3c21
InChIInChI=1S/C16H20N4O2/c1-10-9-12(21)18-15-13(10)11-5-4-6-17-14(11)16(19-15)22-8-7-20(2)3/h4-6,10H,7-9H2,1-3H3,(H,18,19,21)
InChIKeyVYXHQXKCCJAOKM-UHFFFAOYSA-N
XLogP2.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one (CID 21276724) is 6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one is CC1CC(=O)Nc2nc(OCCN(C)C)c3ncccc3c21.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one?
The InChIKey is VYXHQXKCCJAOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-9-12(21)18-15-13(10)11-5-4-6-17-14(11)16(19-15)22-8-7-20(2)3/h4-6,10H,7-9H2,1-3H3,(H,18,19,21).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one?
6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one has a molecular weight of 300.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one is sourced from PubChem (CID 21276724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).