4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one

C25H29N3O4 — CID 76687212

IUPAC4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(OC(CC(C)C)C3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C25H29N3O4/c1-15(2)10-22(17-12-24(29)27-14-17)32-25-18-6-5-9-26-20(18)13-19(28-25)16-7-8-21(30-3)23(11-16)31-4/h5-9,11,13,15,17,22H,10,12,14H2,1-4H3,(H,27,29)
InChIKeyJCFCAGMVCDBUGQ-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.24
Rot. Bonds8

About 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one

4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one (PubChem CID 76687212) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one
PubChem CID76687212
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(OC(CC(C)C)C3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C25H29N3O4/c1-15(2)10-22(17-12-24(29)27-14-17)32-25-18-6-5-9-26-20(18)13-19(28-25)16-7-8-21(30-3)23(11-16)31-4/h5-9,11,13,15,17,22H,10,12,14H2,1-4H3,(H,27,29)
InChIKeyJCFCAGMVCDBUGQ-UHFFFAOYSA-N
XLogP4.24
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687132
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
CID 76687088
(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one
CID 58071915
4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 77444763
4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one
CID 123165250
4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 77444747
4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687101
4-[1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687214
(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 58072003
(4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
CID 58072036
4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 76687103
(4R)-4-[[7-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072091

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one (CID 76687212) is 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one is COc1ccc(-c2cc3ncccc3c(OC(CC(C)C)C3CNC(=O)C3)n2)cc1OC.
What is the InChIKey of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one?
The InChIKey is JCFCAGMVCDBUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-15(2)10-22(17-12-24(29)27-14-17)32-25-18-6-5-9-26-20(18)13-19(28-25)16-7-8-21(30-3)23(11-16)31-4/h5-9,11,13,15,17,22H,10,12,14H2,1-4H3,(H,27,29).
What are the key properties of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one?
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one has a molecular weight of 435.52 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one is sourced from PubChem (CID 76687212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).