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

C23H23N3O4 — CID 58071982

IUPAC(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one
SMILESC=CC(Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H23N3O4/c1-4-19(15-11-22(27)25-13-15)30-23-16-6-5-9-24-18(16)12-17(26-23)14-7-8-20(28-2)21(10-14)29-3/h4-10,12,15,19H,1,11,13H2,2-3H3,(H,25,27)/t15-,19?/m1/s1
InChIKeyVBYZZEJBSSEDTD-NYRJJRHWSA-N
MW405.45 g/mol
LogP3.38
Rot. Bonds7

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

(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one (PubChem CID 58071982) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one
PubChem CID58071982
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one
SMILESC=CC(Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H23N3O4/c1-4-19(15-11-22(27)25-13-15)30-23-16-6-5-9-24-18(16)12-17(26-23)14-7-8-20(28-2)21(10-14)29-3/h4-10,12,15,19H,1,11,13H2,2-3H3,(H,25,27)/t15-,19?/m1/s1
InChIKeyVBYZZEJBSSEDTD-NYRJJRHWSA-N
XLogP3.38
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one (CID 58071982) is (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one is C=CC(Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one?
The InChIKey is VBYZZEJBSSEDTD-NYRJJRHWSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-4-19(15-11-22(27)25-13-15)30-23-16-6-5-9-24-18(16)12-17(26-23)14-7-8-20(28-2)21(10-14)29-3/h4-10,12,15,19H,1,11,13H2,2-3H3,(H,25,27)/t15-,19?/m1/s1.
What are the key properties of (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one?
(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one has a molecular weight of 405.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]prop-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 58071982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).