4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one

C23H33N3O4 — CID 155037379

IUPAC4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
SMILESCCOCN1CCc2c(-c3cc(OC)c(CN(C)C)c(OC)c3)cn(C)c(=O)c2C1
InChIInChI=1S/C23H33N3O4/c1-7-30-15-26-9-8-17-18(13-25(4)23(27)19(17)14-26)16-10-21(28-5)20(12-24(2)3)22(11-16)29-6/h10-11,13H,7-9,12,14-15H2,1-6H3
InChIKeyXYPMCYSXISTCBD-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.48
Rot. Bonds8

About 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one

4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one (PubChem CID 155037379) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
PubChem CID155037379
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
SMILESCCOCN1CCc2c(-c3cc(OC)c(CN(C)C)c(OC)c3)cn(C)c(=O)c2C1
InChIInChI=1S/C23H33N3O4/c1-7-30-15-26-9-8-17-18(13-25(4)23(27)19(17)14-26)16-10-21(28-5)20(12-24(2)3)22(11-16)29-6/h10-11,13H,7-9,12,14-15H2,1-6H3
InChIKeyXYPMCYSXISTCBD-UHFFFAOYSA-N
XLogP2.48
TPSA56.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

7-acetyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
CID 154671666
7-butanoyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
CID 165000025
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-1-oxoisoquinoline-7-carboxylic acid
CID 139370779
7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one
CID 156817535
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;ethane
CID 176971634
7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
CID 156817543
6-amino-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154670272
5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 155037438
5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 154671883
5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]nonyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 165027795
5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 154671757
6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one
CID 118028040

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
The IUPAC name of 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one (CID 155037379) is 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one is CCOCN1CCc2c(-c3cc(OC)c(CN(C)C)c(OC)c3)cn(C)c(=O)c2C1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
The InChIKey is XYPMCYSXISTCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-7-30-15-26-9-8-17-18(13-25(4)23(27)19(17)14-26)16-10-21(28-5)20(12-24(2)3)22(11-16)29-6/h10-11,13H,7-9,12,14-15H2,1-6H3.
What are the key properties of 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one has a molecular weight of 415.53 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-(ethoxymethyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one is sourced from PubChem (CID 155037379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).