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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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).