3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline

C18H28N2 — CID 106976426

IUPAC3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCCCC1(CN2CC(C)Cc3ccccc32)CCCN1
InChIInChI=1S/C18H28N2/c1-3-9-18(10-6-11-19-18)14-20-13-15(2)12-16-7-4-5-8-17(16)20/h4-5,7-8,15,19H,3,6,9-14H2,1-2H3
InChIKeyLMRYTYPQJKZBFJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.61
Rot. Bonds4

About 3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline

3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 106976426) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID106976426
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCCCC1(CN2CC(C)Cc3ccccc32)CCCN1
InChIInChI=1S/C18H28N2/c1-3-9-18(10-6-11-19-18)14-20-13-15(2)12-16-7-4-5-8-17(16)20/h4-5,7-8,15,19H,3,6,9-14H2,1-2H3
InChIKeyLMRYTYPQJKZBFJ-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline (CID 106976426) is 3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline is CCCC1(CN2CC(C)Cc3ccccc32)CCCN1.
What is the InChIKey of 3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is LMRYTYPQJKZBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-9-18(10-6-11-19-18)14-20-13-15(2)12-16-7-4-5-8-17(16)20/h4-5,7-8,15,19H,3,6,9-14H2,1-2H3.
What are the key properties of 3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline?
3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 272.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 106976426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).