4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one

C23H28N4O3 — CID 168729664

IUPAC4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CCN1CCNCC1
InChIInChI=1S/C23H28N4O3/c1-26-15-20(17-4-6-25-14-19(17)23(26)28)16-12-21(29-2)18(22(13-16)30-3)5-9-27-10-7-24-8-11-27/h4,6,12-15,24H,5,7-11H2,1-3H3
InChIKeyLDTGMUMWQIBOMZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.07
Rot. Bonds6

About 4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one

4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one (PubChem CID 168729664) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
PubChem CID168729664
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CCN1CCNCC1
InChIInChI=1S/C23H28N4O3/c1-26-15-20(17-4-6-25-14-19(17)23(26)28)16-12-21(29-2)18(22(13-16)30-3)5-9-27-10-7-24-8-11-27/h4,6,12-15,24H,5,7-11H2,1-3H3
InChIKeyLDTGMUMWQIBOMZ-UHFFFAOYSA-N
XLogP2.07
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 160742919
4-[4-[(4-iodopiperazin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 167116914
4-[4-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672442
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;ethane
CID 176971634
4-[4-[[(3-amino-1-bicyclo[1.1.1]pentanyl)-methylamino]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672366
1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3-methylazetidine-3-carboxylic acid
CID 154672640
4-[3-chloro-5-methoxy-4-(piperidin-4-ylidenemethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 164720221
4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 139373794
4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 155026850
4-[4-[[(3-amino-1-bicyclo[1.1.1]pentanyl)methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672337
methyl 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]bicyclo[1.1.0]butane-1-carboxylate
CID 154672012
tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate
CID 139373686

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one (CID 168729664) is 4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CCN1CCNCC1.
What is the InChIKey of 4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is LDTGMUMWQIBOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-26-15-20(17-4-6-25-14-19(17)23(26)28)16-12-21(29-2)18(22(13-16)30-3)5-9-27-10-7-24-8-11-27/h4,6,12-15,24H,5,7-11H2,1-3H3.
What are the key properties of 4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 408.50 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 168729664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).