4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one

C28H33N3O5 — CID 123165250

IUPAC4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one
SMILESCCCC(Oc1nc(-c2ccc(OC3CCOCC3)c(OC)c2)cc2ncccc12)C1CNC(=O)C1
InChIInChI=1S/C28H33N3O5/c1-3-5-24(19-15-27(32)30-17-19)36-28-21-6-4-11-29-23(21)16-22(31-28)18-7-8-25(26(14-18)33-2)35-20-9-12-34-13-10-20/h4,6-8,11,14,16,19-20,24H,3,5,9-10,12-13,15,17H2,1-2H3,(H,30,32)
InChIKeyGJOKZESDARQYSC-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.55
Rot. Bonds9

About 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one

4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one (PubChem CID 123165250) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one
PubChem CID123165250
Molecular FormulaC28H33N3O5
Molecular Weight491.59 g/mol
Exact Mass491.24
IUPAC Name4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one
SMILESCCCC(Oc1nc(-c2ccc(OC3CCOCC3)c(OC)c2)cc2ncccc12)C1CNC(=O)C1
InChIInChI=1S/C28H33N3O5/c1-3-5-24(19-15-27(32)30-17-19)36-28-21-6-4-11-29-23(21)16-22(31-28)18-7-8-25(26(14-18)33-2)35-20-9-12-34-13-10-20/h4,6-8,11,14,16,19-20,24H,3,5,9-10,12-13,15,17H2,1-2H3,(H,30,32)
InChIKeyGJOKZESDARQYSC-UHFFFAOYSA-N
XLogP4.55
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
CID 76687088
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one
CID 76687212
(4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072033
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687132
(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one
CID 58071915
(4R)-4-[[7-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072091
4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 77444763
4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 77444747
4-[1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687214
(4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241970
4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687101
(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 58072003

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one (CID 123165250) is 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one is CCCC(Oc1nc(-c2ccc(OC3CCOCC3)c(OC)c2)cc2ncccc12)C1CNC(=O)C1.
What is the InChIKey of 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one?
The InChIKey is GJOKZESDARQYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-3-5-24(19-15-27(32)30-17-19)36-28-21-6-4-11-29-23(21)16-22(31-28)18-7-8-25(26(14-18)33-2)35-20-9-12-34-13-10-20/h4,6-8,11,14,16,19-20,24H,3,5,9-10,12-13,15,17H2,1-2H3,(H,30,32).
What are the key properties of 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one?
4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one has a molecular weight of 491.59 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one is sourced from PubChem (CID 123165250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).