5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline

C28H31N3O — CID 71449886

IUPAC5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
SMILESCCCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCCC3)cc2n1
InChIInChI=1S/C28H31N3O/c1-4-15-32-27-12-11-22-23(19(2)3)17-21(18-26(22)29-27)24-16-20-9-5-6-10-25(20)30-28(24)31-13-7-8-14-31/h5-6,9-12,16-19H,4,7-8,13-15H2,1-3H3
InChIKeyCPMUXDFAKBVDBB-UHFFFAOYSA-N
MW425.58 g/mol
LogP6.96
Rot. Bonds6

About 5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline

5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline (PubChem CID 71449886) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline.

Molecular Properties

Compound Name5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
PubChem CID71449886
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
SMILESCCCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCCC3)cc2n1
InChIInChI=1S/C28H31N3O/c1-4-15-32-27-12-11-22-23(19(2)3)17-21(18-26(22)29-27)24-16-20-9-5-6-10-25(20)30-28(24)31-13-7-8-14-31/h5-6,9-12,16-19H,4,7-8,13-15H2,1-3H3
InChIKeyCPMUXDFAKBVDBB-UHFFFAOYSA-N
XLogP6.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The IUPAC name of 5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline (CID 71449886) is 5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline.
What is the SMILES notation for 5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The canonical SMILES for 5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline is CCCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCCC3)cc2n1.
What is the InChIKey of 5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The InChIKey is CPMUXDFAKBVDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-4-15-32-27-12-11-22-23(19(2)3)17-21(18-26(22)29-27)24-16-20-9-5-6-10-25(20)30-28(24)31-13-7-8-14-31/h5-6,9-12,16-19H,4,7-8,13-15H2,1-3H3.
What are the key properties of 5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline has a molecular weight of 425.58 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline is sourced from PubChem (CID 71449886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).