(4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C25H28N2O4 — CID 71241896

IUPAC(4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1OC(C)C
InChIInChI=1S/C25H28N2O4/c1-15(2)30-22-8-7-17(11-24(22)29-4)18-10-21-20(6-5-9-26-21)23(12-18)31-16(3)19-13-25(28)27-14-19/h5-12,15-16,19H,13-14H2,1-4H3,(H,27,28)/t16-,19-/m1/s1
InChIKeyZZGANYRCHFYCMC-VQIMIIECSA-N
MW420.51 g/mol
LogP4.60
Rot. Bonds7

About (4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241896) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241896
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name(4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1OC(C)C
InChIInChI=1S/C25H28N2O4/c1-15(2)30-22-8-7-17(11-24(22)29-4)18-10-21-20(6-5-9-26-21)23(12-18)31-16(3)19-13-25(28)27-14-19/h5-12,15-16,19H,13-14H2,1-4H3,(H,27,28)/t16-,19-/m1/s1
InChIKeyZZGANYRCHFYCMC-VQIMIIECSA-N
XLogP4.60
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241896) is (4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1OC(C)C.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is ZZGANYRCHFYCMC-VQIMIIECSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-15(2)30-22-8-7-17(11-24(22)29-4)18-10-21-20(6-5-9-26-21)23(12-18)31-16(3)19-13-25(28)27-14-19/h5-12,15-16,19H,13-14H2,1-4H3,(H,27,28)/t16-,19-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 420.51 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).