3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline

C19H27N3O — CID 138042690

IUPAC3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline
SMILESCCc1c(C)nc2ccccc2c1N1CCN(CCOC)CC1
InChIInChI=1S/C19H27N3O/c1-4-16-15(2)20-18-8-6-5-7-17(18)19(16)22-11-9-21(10-12-22)13-14-23-3/h5-8H,4,9-14H2,1-3H3
InChIKeyRSTNXECNQXESPU-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.87
Rot. Bonds5

About 3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline

3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline (PubChem CID 138042690) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline.

Molecular Properties

Compound Name3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline
PubChem CID138042690
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline
SMILESCCc1c(C)nc2ccccc2c1N1CCN(CCOC)CC1
InChIInChI=1S/C19H27N3O/c1-4-16-15(2)20-18-8-6-5-7-17(18)19(16)22-11-9-21(10-12-22)13-14-23-3/h5-8H,4,9-14H2,1-3H3
InChIKeyRSTNXECNQXESPU-UHFFFAOYSA-N
XLogP2.87
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 133499647
3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline
CID 133437612
4-(2,3-dimethylquinolin-4-yl)-1-(2-methoxyethyl)piperazin-2-one
CID 133452086
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
methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 133438071
1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 138042688
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124
4-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133438789
[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133438479
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine
CID 112804969

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline?
The IUPAC name of 3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline (CID 138042690) is 3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline.
What is the SMILES notation for 3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline?
The canonical SMILES for 3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline is CCc1c(C)nc2ccccc2c1N1CCN(CCOC)CC1.
What is the InChIKey of 3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline?
The InChIKey is RSTNXECNQXESPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-16-15(2)20-18-8-6-5-7-17(18)19(16)22-11-9-21(10-12-22)13-14-23-3/h5-8H,4,9-14H2,1-3H3.
What are the key properties of 3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline?
3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline has a molecular weight of 313.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline is sourced from PubChem (CID 138042690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).