3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline

C22H28N4 — CID 133437612

IUPAC3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline
SMILESCCc1c(C)nc2ccccc2c1N1CCC(Cc2nccn2C)CC1
InChIInChI=1S/C22H28N4/c1-4-18-16(2)24-20-8-6-5-7-19(20)22(18)26-12-9-17(10-13-26)15-21-23-11-14-25(21)3/h5-8,11,14,17H,4,9-10,12-13,15H2,1-3H3
InChIKeyOSRYLLUUEWAOTP-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.30
Rot. Bonds4

About 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline

3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline (PubChem CID 133437612) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline
PubChem CID133437612
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline
SMILESCCc1c(C)nc2ccccc2c1N1CCC(Cc2nccn2C)CC1
InChIInChI=1S/C22H28N4/c1-4-18-16(2)24-20-8-6-5-7-19(20)22(18)26-12-9-17(10-13-26)15-21-23-11-14-25(21)3/h5-8,11,14,17H,4,9-10,12-13,15H2,1-3H3
InChIKeyOSRYLLUUEWAOTP-UHFFFAOYSA-N
XLogP4.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133438479
3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline
CID 138042690
N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide
CID 133437703
1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048463
1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 138042688
(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 133499647
4-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133438789
methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 133438071
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133294994
2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid
CID 110432593
3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine
CID 133438764
3-[4-(3-ethyl-2-methylquinolin-4-yl)morpholin-2-yl]phenol
CID 133438456

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline?
The IUPAC name of 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline (CID 133437612) is 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline.
What is the SMILES notation for 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline?
The canonical SMILES for 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline is CCc1c(C)nc2ccccc2c1N1CCC(Cc2nccn2C)CC1.
What is the InChIKey of 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline?
The InChIKey is OSRYLLUUEWAOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-4-18-16(2)24-20-8-6-5-7-19(20)22(18)26-12-9-17(10-13-26)15-21-23-11-14-25(21)3/h5-8,11,14,17H,4,9-10,12-13,15H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline?
3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline has a molecular weight of 348.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline is sourced from PubChem (CID 133437612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).