4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline

C16H19ClN2 — CID 63561695

IUPAC4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline
SMILESCCc1nc2ccc(N3CCCC3)cc2c(Cl)c1C
InChIInChI=1S/C16H19ClN2/c1-3-14-11(2)16(17)13-10-12(6-7-15(13)18-14)19-8-4-5-9-19/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZYZQAPVWAUZCOV-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.36
Rot. Bonds2

About 4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline

4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline (PubChem CID 63561695) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline
PubChem CID63561695
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline
SMILESCCc1nc2ccc(N3CCCC3)cc2c(Cl)c1C
InChIInChI=1S/C16H19ClN2/c1-3-14-11(2)16(17)13-10-12(6-7-15(13)18-14)19-8-4-5-9-19/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZYZQAPVWAUZCOV-UHFFFAOYSA-N
XLogP4.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline?
The IUPAC name of 4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline (CID 63561695) is 4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline?
The canonical SMILES for 4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline is CCc1nc2ccc(N3CCCC3)cc2c(Cl)c1C.
What is the InChIKey of 4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline?
The InChIKey is ZYZQAPVWAUZCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-14-11(2)16(17)13-10-12(6-7-15(13)18-14)19-8-4-5-9-19/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline?
4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline has a molecular weight of 274.80 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 63561695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).