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

C44H49N5O — CID 71455244

IUPAC5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
SMILESCCCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCCC3)nc2c1
InChIInChI=1S/C44H49N5O/c1-6-21-50-44-37(32-24-34(28(2)3)33-15-16-42(45-40(33)26-32)48-17-9-10-18-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-13-7-8-14-39(30)46-43(36)49-19-11-12-20-49/h7-8,13-16,22-29H,6,9-12,17-21H2,1-5H3
InChIKeySUWTZFFHFUQTRL-UHFFFAOYSA-N
MW663.91 g/mol
LogP10.90
Rot. Bonds9

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

5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline (PubChem CID 71455244) has the molecular formula C44H49N5O and a molecular weight of 663.91 g/mol. Its IUPAC name is 5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline.

Molecular Properties

Compound Name5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
PubChem CID71455244
Molecular FormulaC44H49N5O
Molecular Weight663.91 g/mol
Exact Mass663.39
IUPAC Name5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
SMILESCCCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCCC3)nc2c1
InChIInChI=1S/C44H49N5O/c1-6-21-50-44-37(32-24-34(28(2)3)33-15-16-42(45-40(33)26-32)48-17-9-10-18-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-13-7-8-14-39(30)46-43(36)49-19-11-12-20-49/h7-8,13-16,22-29H,6,9-12,17-21H2,1-5H3
InChIKeySUWTZFFHFUQTRL-UHFFFAOYSA-N
XLogP10.90
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.91
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The IUPAC name of 5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline (CID 71455244) is 5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline.
What is the SMILES notation for 5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The canonical SMILES for 5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline is CCCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCCC3)nc2c1.
What is the InChIKey of 5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The InChIKey is SUWTZFFHFUQTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49N5O/c1-6-21-50-44-37(32-24-34(28(2)3)33-15-16-42(45-40(33)26-32)48-17-9-10-18-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-13-7-8-14-39(30)46-43(36)49-19-11-12-20-49/h7-8,13-16,22-29H,6,9-12,17-21H2,1-5H3.
What are the key properties of 5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline has a molecular weight of 663.91 g/mol, XLogP of 10.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline is sourced from PubChem (CID 71455244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).