4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline

C22H24N2O — CID 56946828

IUPAC4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline
SMILESCC(C)Oc1cc(-c2ccc(N3CCCC3)cc2)nc2ccccc12
InChIInChI=1S/C22H24N2O/c1-16(2)25-22-15-21(23-20-8-4-3-7-19(20)22)17-9-11-18(12-10-17)24-13-5-6-14-24/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3
InChIKeyWCCSQOLHONVFPL-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.29
Rot. Bonds4

About 4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline

4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline (PubChem CID 56946828) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline.

Molecular Properties

Compound Name4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline
PubChem CID56946828
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline
SMILESCC(C)Oc1cc(-c2ccc(N3CCCC3)cc2)nc2ccccc12
InChIInChI=1S/C22H24N2O/c1-16(2)25-22-15-21(23-20-8-4-3-7-19(20)22)17-9-11-18(12-10-17)24-13-5-6-14-24/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3
InChIKeyWCCSQOLHONVFPL-UHFFFAOYSA-N
XLogP5.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline?
The IUPAC name of 4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline (CID 56946828) is 4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline.
What is the SMILES notation for 4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline?
The canonical SMILES for 4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline is CC(C)Oc1cc(-c2ccc(N3CCCC3)cc2)nc2ccccc12.
What is the InChIKey of 4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline?
The InChIKey is WCCSQOLHONVFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16(2)25-22-15-21(23-20-8-4-3-7-19(20)22)17-9-11-18(12-10-17)24-13-5-6-14-24/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline?
4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline has a molecular weight of 332.45 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)quinoline is sourced from PubChem (CID 56946828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).