8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one

C18H25N3O3 — CID 67381139

IUPAC8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
SMILESCOCn1c(=O)c2c(c3c(OC)cc(CN(C)C)cc31)NCCC2
InChIInChI=1S/C18H25N3O3/c1-20(2)10-12-8-14-16(15(9-12)24-4)17-13(6-5-7-19-17)18(22)21(14)11-23-3/h8-9,19H,5-7,10-11H2,1-4H3
InChIKeyIKLSMDMDZZZTOG-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.03
Rot. Bonds5

About 8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one

8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one (PubChem CID 67381139) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
PubChem CID67381139
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
SMILESCOCn1c(=O)c2c(c3c(OC)cc(CN(C)C)cc31)NCCC2
InChIInChI=1S/C18H25N3O3/c1-20(2)10-12-8-14-16(15(9-12)24-4)17-13(6-5-7-19-17)18(22)21(14)11-23-3/h8-9,19H,5-7,10-11H2,1-4H3
InChIKeyIKLSMDMDZZZTOG-UHFFFAOYSA-N
XLogP2.03
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one (CID 67381139) is 8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one is COCn1c(=O)c2c(c3c(OC)cc(CN(C)C)cc31)NCCC2.
What is the InChIKey of 8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one?
The InChIKey is IKLSMDMDZZZTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(2)10-12-8-14-16(15(9-12)24-4)17-13(6-5-7-19-17)18(22)21(14)11-23-3/h8-9,19H,5-7,10-11H2,1-4H3.
What are the key properties of 8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one?
8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one has a molecular weight of 331.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 67381139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).