(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C32H34N2O5 — CID 71241993

IUPAC(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O[C@H](C)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C32H34N2O5/c1-20(22-10-7-6-8-11-22)34-19-25(18-31(34)35)21(2)39-28-15-23(14-27-26(28)12-9-13-33-27)24-16-29(36-3)32(38-5)30(17-24)37-4/h6-17,20-21,25H,18-19H2,1-5H3/t20-,21-,25-/m1/s1
InChIKeyQKCRVVHWWVLTIA-DNRQZRRGSA-N
MW526.63 g/mol
LogP6.30
Rot. Bonds9

About (4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241993) has the molecular formula C32H34N2O5 and a molecular weight of 526.63 g/mol. Its IUPAC name is (4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241993
Molecular FormulaC32H34N2O5
Molecular Weight526.63 g/mol
Exact Mass526.25
IUPAC Name(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O[C@H](C)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C32H34N2O5/c1-20(22-10-7-6-8-11-22)34-19-25(18-31(34)35)21(2)39-28-15-23(14-27-26(28)12-9-13-33-27)24-16-29(36-3)32(38-5)30(17-24)37-4/h6-17,20-21,25H,18-19H2,1-5H3/t20-,21-,25-/m1/s1
InChIKeyQKCRVVHWWVLTIA-DNRQZRRGSA-N
XLogP6.30
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241993) is (4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc(O[C@H](C)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c3cccnc3c2)cc(OC)c1OC.
What is the InChIKey of (4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is QKCRVVHWWVLTIA-DNRQZRRGSA-N. The full InChI is InChI=1S/C32H34N2O5/c1-20(22-10-7-6-8-11-22)34-19-25(18-31(34)35)21(2)39-28-15-23(14-27-26(28)12-9-13-33-27)24-16-29(36-3)32(38-5)30(17-24)37-4/h6-17,20-21,25H,18-19H2,1-5H3/t20-,21-,25-/m1/s1.
What are the key properties of (4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 526.63 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).