4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one

C28H32N4O3 — CID 108764424

IUPAC4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)C4CC(=O)N(C(C)c5ccccc5)C4)CC3)nc12
InChIInChI=1S/C28H32N4O3/c1-19-16-25(29-27-23(19)10-7-11-24(27)35-3)30-12-14-31(15-13-30)28(34)22-17-26(33)32(18-22)20(2)21-8-5-4-6-9-21/h4-11,16,20,22H,12-15,17-18H2,1-3H3
InChIKeyIBFFFTHLVMOQGS-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.81
Rot. Bonds5

About 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one

4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 108764424) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID108764424
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)C4CC(=O)N(C(C)c5ccccc5)C4)CC3)nc12
InChIInChI=1S/C28H32N4O3/c1-19-16-25(29-27-23(19)10-7-11-24(27)35-3)30-12-14-31(15-13-30)28(34)22-17-26(33)32(18-22)20(2)21-8-5-4-6-9-21/h4-11,16,20,22H,12-15,17-18H2,1-3H3
InChIKeyIBFFFTHLVMOQGS-UHFFFAOYSA-N
XLogP3.81
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one (CID 108764424) is 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one is COc1cccc2c(C)cc(N3CCN(C(=O)C4CC(=O)N(C(C)c5ccccc5)C4)CC3)nc12.
What is the InChIKey of 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is IBFFFTHLVMOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-19-16-25(29-27-23(19)10-7-11-24(27)35-3)30-12-14-31(15-13-30)28(34)22-17-26(33)32(18-22)20(2)21-8-5-4-6-9-21/h4-11,16,20,22H,12-15,17-18H2,1-3H3.
What are the key properties of 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 472.59 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 108764424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).