(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C27H30N4O3 — CID 71241938

IUPAC(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C27H30N4O3/c1-18(22-16-26(32)29-17-22)34-25-15-21(14-24-23(25)4-3-9-28-24)19-5-7-20(8-6-19)27(33)31-12-10-30(2)11-13-31/h3-9,14-15,18,22H,10-13,16-17H2,1-2H3,(H,29,32)/t18-,22-/m1/s1
InChIKeyCLOIPKGMRLHWQX-XMSQKQJNSA-N
MW458.56 g/mol
LogP3.19
Rot. Bonds5

About (4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241938) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241938
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C27H30N4O3/c1-18(22-16-26(32)29-17-22)34-25-15-21(14-24-23(25)4-3-9-28-24)19-5-7-20(8-6-19)27(33)31-12-10-30(2)11-13-31/h3-9,14-15,18,22H,10-13,16-17H2,1-2H3,(H,29,32)/t18-,22-/m1/s1
InChIKeyCLOIPKGMRLHWQX-XMSQKQJNSA-N
XLogP3.19
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.19
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-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241938) is (4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is CLOIPKGMRLHWQX-XMSQKQJNSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-18(22-16-26(32)29-17-22)34-25-15-21(14-24-23(25)4-3-9-28-24)19-5-7-20(8-6-19)27(33)31-12-10-30(2)11-13-31/h3-9,14-15,18,22H,10-13,16-17H2,1-2H3,(H,29,32)/t18-,22-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 458.56 g/mol, XLogP of 3.19, 5 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-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).