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

C23H25N3O4 — CID 58072078

IUPAC(4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(C)c1OC
InChIInChI=1S/C23H25N3O4/c1-13-8-15(9-20(28-3)22(13)29-4)18-11-19-17(6-5-7-24-19)23(26-18)30-14(2)16-10-21(27)25-12-16/h5-9,11,14,16H,10,12H2,1-4H3,(H,25,27)/t14-,16-/m1/s1
InChIKeySQTKRHOZPBVODP-GDBMZVCRSA-N
MW407.47 g/mol
LogP3.53
Rot. Bonds6

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

(4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 58072078) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID58072078
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(C)c1OC
InChIInChI=1S/C23H25N3O4/c1-13-8-15(9-20(28-3)22(13)29-4)18-11-19-17(6-5-7-24-19)23(26-18)30-14(2)16-10-21(27)25-12-16/h5-9,11,14,16H,10,12H2,1-4H3,(H,25,27)/t14-,16-/m1/s1
InChIKeySQTKRHOZPBVODP-GDBMZVCRSA-N
XLogP3.53
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (CID 58072078) is (4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(C)c1OC.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is SQTKRHOZPBVODP-GDBMZVCRSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-13-8-15(9-20(28-3)22(13)29-4)18-11-19-17(6-5-7-24-19)23(26-18)30-14(2)16-10-21(27)25-12-16/h5-9,11,14,16H,10,12H2,1-4H3,(H,25,27)/t14-,16-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 407.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58072078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).