1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol

C16H20N2O — CID 81467927

IUPAC1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol
SMILESCc1ccc2cc(C3(O)CC(C)N(C)C3)ccc2n1
InChIInChI=1S/C16H20N2O/c1-11-4-5-13-8-14(6-7-15(13)17-11)16(19)9-12(2)18(3)10-16/h4-8,12,19H,9-10H2,1-3H3
InChIKeyGSUBHBXGVFCUBY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.45
Rot. Bonds1

About 1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol

1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol (PubChem CID 81467927) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol
PubChem CID81467927
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol
SMILESCc1ccc2cc(C3(O)CC(C)N(C)C3)ccc2n1
InChIInChI=1S/C16H20N2O/c1-11-4-5-13-8-14(6-7-15(13)17-11)16(19)9-12(2)18(3)10-16/h4-8,12,19H,9-10H2,1-3H3
InChIKeyGSUBHBXGVFCUBY-UHFFFAOYSA-N
XLogP2.45
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol (CID 81467927) is 1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol is Cc1ccc2cc(C3(O)CC(C)N(C)C3)ccc2n1.
What is the InChIKey of 1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol?
The InChIKey is GSUBHBXGVFCUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-4-5-13-8-14(6-7-15(13)17-11)16(19)9-12(2)18(3)10-16/h4-8,12,19H,9-10H2,1-3H3.
What are the key properties of 1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol?
1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol has a molecular weight of 256.35 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol is sourced from PubChem (CID 81467927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).