5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline

C24H29N3O2 — CID 24865539

IUPAC5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
SMILESCOc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-19-6-11-22-23(25-19)4-3-5-24(22)29-17-16-26-12-14-27(15-13-26)18-20-7-9-21(28-2)10-8-20/h3-11H,12-18H2,1-2H3
InChIKeyJASGQPKQLWYLDV-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.75
Rot. Bonds7

About 5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline

5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline (PubChem CID 24865539) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
PubChem CID24865539
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
SMILESCOc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-19-6-11-22-23(25-19)4-3-5-24(22)29-17-16-26-12-14-27(15-13-26)18-20-7-9-21(28-2)10-8-20/h3-11H,12-18H2,1-2H3
InChIKeyJASGQPKQLWYLDV-UHFFFAOYSA-N
XLogP3.75
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
SB 714786
CID 10287730
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
SB-649,915
CID 10296414
2-(4-Methoxyphenyl)quinoline
CID 1481967
7-Benzyloxyquinoline
CID 3035604
2-(4-methoxyphenyl)-N-(3-(piperidin-1-yl)propyl)quinolin-4-amine
CID 73050850
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
5-Methoxy-2-(2-phenylethynyl)quinoline
CID 71562840
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline?
The IUPAC name of 5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline (CID 24865539) is 5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline.
What is the SMILES notation for 5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline?
The canonical SMILES for 5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline is COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1.
What is the InChIKey of 5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline?
The InChIKey is JASGQPKQLWYLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-6-11-22-23(25-19)4-3-5-24(22)29-17-16-26-12-14-27(15-13-26)18-20-7-9-21(28-2)10-8-20/h3-11H,12-18H2,1-2H3.
What are the key properties of 5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline?
5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline has a molecular weight of 391.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline is sourced from PubChem (CID 24865539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).