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

C27H29N3O — CID 71451698

IUPAC2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
SMILESCCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCCC3)cc2n1
InChIInChI=1S/C27H29N3O/c1-4-31-26-12-11-21-22(18(2)3)16-20(17-25(21)28-26)23-15-19-9-5-6-10-24(19)29-27(23)30-13-7-8-14-30/h5-6,9-12,15-18H,4,7-8,13-14H2,1-3H3
InChIKeySWGZWBMKPMUYCA-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.57
Rot. Bonds5

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

2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline (PubChem CID 71451698) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline.

Molecular Properties

Compound Name2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
PubChem CID71451698
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
SMILESCCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCCC3)cc2n1
InChIInChI=1S/C27H29N3O/c1-4-31-26-12-11-21-22(18(2)3)16-20(17-25(21)28-26)23-15-19-9-5-6-10-24(19)29-27(23)30-13-7-8-14-30/h5-6,9-12,15-18H,4,7-8,13-14H2,1-3H3
InChIKeySWGZWBMKPMUYCA-UHFFFAOYSA-N
XLogP6.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The IUPAC name of 2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline (CID 71451698) is 2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline.
What is the SMILES notation for 2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The canonical SMILES for 2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline is CCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCCC3)cc2n1.
What is the InChIKey of 2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The InChIKey is SWGZWBMKPMUYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-4-31-26-12-11-21-22(18(2)3)16-20(17-25(21)28-26)23-15-19-9-5-6-10-24(19)29-27(23)30-13-7-8-14-30/h5-6,9-12,15-18H,4,7-8,13-14H2,1-3H3.
What are the key properties of 2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline has a molecular weight of 411.55 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline is sourced from PubChem (CID 71451698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).