4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline

C15H17ClN2O — CID 55158641

IUPAC4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline
SMILESCOCc1cc(Cl)c2cc(N3CCCC3)ccc2n1
InChIInChI=1S/C15H17ClN2O/c1-19-10-11-8-14(16)13-9-12(4-5-15(13)17-11)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyBGXZBVXSKQSCKK-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.63
Rot. Bonds3

About 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline

4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline (PubChem CID 55158641) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline
PubChem CID55158641
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline
SMILESCOCc1cc(Cl)c2cc(N3CCCC3)ccc2n1
InChIInChI=1S/C15H17ClN2O/c1-19-10-11-8-14(16)13-9-12(4-5-15(13)17-11)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyBGXZBVXSKQSCKK-UHFFFAOYSA-N
XLogP3.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline?
The IUPAC name of 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline (CID 55158641) is 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline is COCc1cc(Cl)c2cc(N3CCCC3)ccc2n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline?
The InChIKey is BGXZBVXSKQSCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-19-10-11-8-14(16)13-9-12(4-5-15(13)17-11)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline?
4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline has a molecular weight of 276.77 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 55158641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).