2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline

C17H22N2O — CID 22641342

IUPAC2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2ccc(OC(C)C)cc2n1
InChIInChI=1S/C17H22N2O/c1-12(2)20-14-6-7-15-16(11-14)18-13(3)10-17(15)19-8-4-5-9-19/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyQRNWQIDZFDTHPW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.93
Rot. Bonds3

About 2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline

2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline (PubChem CID 22641342) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline
PubChem CID22641342
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2ccc(OC(C)C)cc2n1
InChIInChI=1S/C17H22N2O/c1-12(2)20-14-6-7-15-16(11-14)18-13(3)10-17(15)19-8-4-5-9-19/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyQRNWQIDZFDTHPW-UHFFFAOYSA-N
XLogP3.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline (CID 22641342) is 2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline is Cc1cc(N2CCCC2)c2ccc(OC(C)C)cc2n1.
What is the InChIKey of 2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline?
The InChIKey is QRNWQIDZFDTHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)20-14-6-7-15-16(11-14)18-13(3)10-17(15)19-8-4-5-9-19/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of 2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline?
2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline has a molecular weight of 270.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 22641342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).