(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one

C24H27N3O5 — CID 58072037

IUPAC(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
SMILESCC[C@@H](Oc1nc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H27N3O5/c1-5-19(15-11-22(28)26-13-15)32-24-16-7-6-8-25-18(16)12-17(27-24)14-9-20(29-2)23(31-4)21(10-14)30-3/h6-10,12,15,19H,5,11,13H2,1-4H3,(H,26,28)/t15-,19-/m1/s1
InChIKeyKDBBHCQXKQMERW-DNVCBOLYSA-N
MW437.50 g/mol
LogP3.62
Rot. Bonds8

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

(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one (PubChem CID 58072037) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
PubChem CID58072037
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
SMILESCC[C@@H](Oc1nc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H27N3O5/c1-5-19(15-11-22(28)26-13-15)32-24-16-7-6-8-25-18(16)12-17(27-24)14-9-20(29-2)23(31-4)21(10-14)30-3/h6-10,12,15,19H,5,11,13H2,1-4H3,(H,26,28)/t15-,19-/m1/s1
InChIKeyKDBBHCQXKQMERW-DNVCBOLYSA-N
XLogP3.62
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one (CID 58072037) is (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one is CC[C@@H](Oc1nc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The InChIKey is KDBBHCQXKQMERW-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-5-19(15-11-22(28)26-13-15)32-24-16-7-6-8-25-18(16)12-17(27-24)14-9-20(29-2)23(31-4)21(10-14)30-3/h6-10,12,15,19H,5,11,13H2,1-4H3,(H,26,28)/t15-,19-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one has a molecular weight of 437.50 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one is sourced from PubChem (CID 58072037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).