2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline

C20H20N2O — CID 45051409

IUPAC2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
SMILESCOc1ccc(-c2cc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O/c1-23-16-10-8-15(9-11-16)19-14-20(22-12-4-5-13-22)17-6-2-3-7-18(17)21-19/h2-3,6-11,14H,4-5,12-13H2,1H3
InChIKeyIYRACWCAJQOXTB-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.51
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline

2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline (PubChem CID 45051409) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
PubChem CID45051409
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
SMILESCOc1ccc(-c2cc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O/c1-23-16-10-8-15(9-11-16)19-14-20(22-12-4-5-13-22)17-6-2-3-7-18(17)21-19/h2-3,6-11,14H,4-5,12-13H2,1H3
InChIKeyIYRACWCAJQOXTB-UHFFFAOYSA-N
XLogP4.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-phenyl-4-piperazin-1-ylquinoline
CID 121237208
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate
CID 51058349
2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
CID 16643828
2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 70459272
2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
CID 51057895
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline
CID 73347282
2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
CID 45051431
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline (CID 45051409) is 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline is COc1ccc(-c2cc(N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline?
The InChIKey is IYRACWCAJQOXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-23-16-10-8-15(9-11-16)19-14-20(22-12-4-5-13-22)17-6-2-3-7-18(17)21-19/h2-3,6-11,14H,4-5,12-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline?
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline has a molecular weight of 304.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 45051409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).