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

C22H23N3O4 — CID 58071956

IUPAC(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(O[C@@H](C)[C@H]3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-13(15-10-21(26)24-12-15)29-22-16-5-4-8-23-18(16)11-17(25-22)14-6-7-19(27-2)20(9-14)28-3/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,26)/t13-,15+/m0/s1
InChIKeyRPYMEOCZLCXVGD-DZGCQCFKSA-N
MW393.44 g/mol
LogP3.22
Rot. Bonds6

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

(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 58071956) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID58071956
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(O[C@@H](C)[C@H]3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-13(15-10-21(26)24-12-15)29-22-16-5-4-8-23-18(16)11-17(25-22)14-6-7-19(27-2)20(9-14)28-3/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,26)/t13-,15+/m0/s1
InChIKeyRPYMEOCZLCXVGD-DZGCQCFKSA-N
XLogP3.22
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (CID 58071956) is (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is COc1ccc(-c2cc3ncccc3c(O[C@@H](C)[C@H]3CNC(=O)C3)n2)cc1OC.
What is the InChIKey of (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is RPYMEOCZLCXVGD-DZGCQCFKSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13(15-10-21(26)24-12-15)29-22-16-5-4-8-23-18(16)11-17(25-22)14-6-7-19(27-2)20(9-14)28-3/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,26)/t13-,15+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 393.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58071956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).