1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one

C28H33N3O2 — CID 10216873

IUPAC1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCC5=O)c4)CC3)cccc2n1
InChIInChI=1S/C28H33N3O2/c1-21-10-11-25-26(29-21)7-3-8-27(25)33-18-17-30-15-12-22(13-16-30)19-23-5-2-6-24(20-23)31-14-4-9-28(31)32/h2-3,5-8,10-11,20,22H,4,9,12-19H2,1H3
InChIKeyCMGCUKSVHPVYFF-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.00
Rot. Bonds7

About 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one

1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one (PubChem CID 10216873) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one
PubChem CID10216873
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCC5=O)c4)CC3)cccc2n1
InChIInChI=1S/C28H33N3O2/c1-21-10-11-25-26(29-21)7-3-8-27(25)33-18-17-30-15-12-22(13-16-30)19-23-5-2-6-24(20-23)31-14-4-9-28(31)32/h2-3,5-8,10-11,20,22H,4,9,12-19H2,1H3
InChIKeyCMGCUKSVHPVYFF-UHFFFAOYSA-N
XLogP5.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

SB-649,915
CID 10296414
7-fluoro-6-[[1-[2-(7-fluoro-2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 9934284
2-Methyl-5-[2-[4-[[3-(1-methylpiperidin-4-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 9957376
4-Methyl-6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-1,4-benzoxazin-3-one
CID 10114480
2-Methyl-5-[2-[4-[(3-piperidin-1-ylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
CID 10127424
2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10127673
2-Methyl-5-[2-[4-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 10127877
6-[[1-[2-(7-fluoro-2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10138727
1-Ethyl-3-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]urea
CID 10151492
7-fluoro-6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10161028
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10173263
5-(2-(4-(3-(cis-3,5-Dimethylpiperazin-1-yl)benzyl)piperidin-1-yl)ethoxy)-2-methylquinoline
CID 10174078

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one (CID 10216873) is 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one is Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCC5=O)c4)CC3)cccc2n1.
What is the InChIKey of 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is CMGCUKSVHPVYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-21-10-11-25-26(29-21)7-3-8-27(25)33-18-17-30-15-12-22(13-16-30)19-23-5-2-6-24(20-23)31-14-4-9-28(31)32/h2-3,5-8,10-11,20,22H,4,9,12-19H2,1H3.
What are the key properties of 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one?
1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 443.59 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 10216873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).