2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline

C18H24N2O — CID 22641435

IUPAC2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2ccc(OCC(C)C)cc2n1
InChIInChI=1S/C18H24N2O/c1-13(2)12-21-15-6-7-16-17(11-15)19-14(3)10-18(16)20-8-4-5-9-20/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3
InChIKeyDWNQBLQNRHZONO-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.18
Rot. Bonds4

About 2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline

2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline (PubChem CID 22641435) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline
PubChem CID22641435
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2ccc(OCC(C)C)cc2n1
InChIInChI=1S/C18H24N2O/c1-13(2)12-21-15-6-7-16-17(11-15)19-14(3)10-18(16)20-8-4-5-9-20/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3
InChIKeyDWNQBLQNRHZONO-UHFFFAOYSA-N
XLogP4.18
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline (CID 22641435) is 2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline is Cc1cc(N2CCCC2)c2ccc(OCC(C)C)cc2n1.
What is the InChIKey of 2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline?
The InChIKey is DWNQBLQNRHZONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)12-21-15-6-7-16-17(11-15)19-14(3)10-18(16)20-8-4-5-9-20/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3.
What are the key properties of 2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline?
2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline has a molecular weight of 284.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 22641435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).