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

C43H48N4O2 — CID 71451696

IUPAC5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-propoxyquinolin-3-yl)quinoline
SMILESCCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2cc(-c3cc(C(C)C)c4ccc(N5CCCC5)nc4c3)c(OCCC)nc2c1
InChIInChI=1S/C43H48N4O2/c1-7-19-48-42-35(21-29-13-9-10-14-38(29)45-42)30-23-34(28(5)6)37-26-36(43(49-20-8-2)46-40(37)25-30)31-22-33(27(3)4)32-15-16-41(44-39(32)24-31)47-17-11-12-18-47/h9-10,13-16,21-28H,7-8,11-12,17-20H2,1-6H3
InChIKeyAYCCWXLQXCPVJI-UHFFFAOYSA-N
MW652.88 g/mol
LogP11.09
Rot. Bonds11

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

5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-propoxyquinolin-3-yl)quinoline (PubChem CID 71451696) has the molecular formula C43H48N4O2 and a molecular weight of 652.88 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-propoxyquinolin-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-propoxyquinolin-3-yl)quinoline
PubChem CID71451696
Molecular FormulaC43H48N4O2
Molecular Weight652.88 g/mol
Exact Mass652.38
IUPAC Name5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-propoxyquinolin-3-yl)quinoline
SMILESCCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2cc(-c3cc(C(C)C)c4ccc(N5CCCC5)nc4c3)c(OCCC)nc2c1
InChIInChI=1S/C43H48N4O2/c1-7-19-48-42-35(21-29-13-9-10-14-38(29)45-42)30-23-34(28(5)6)37-26-36(43(49-20-8-2)46-40(37)25-30)31-22-33(27(3)4)32-15-16-41(44-39(32)24-31)47-17-11-12-18-47/h9-10,13-16,21-28H,7-8,11-12,17-20H2,1-6H3
InChIKeyAYCCWXLQXCPVJI-UHFFFAOYSA-N
XLogP11.09
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.88
LogP ≤ 511.09
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-propoxyquinolin-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-propoxyquinolin-3-yl)quinoline (CID 71451696) is 5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-propoxyquinolin-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-propoxyquinolin-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-propoxyquinolin-3-yl)quinoline is CCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2cc(-c3cc(C(C)C)c4ccc(N5CCCC5)nc4c3)c(OCCC)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-propoxyquinolin-3-yl)quinoline?
The InChIKey is AYCCWXLQXCPVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N4O2/c1-7-19-48-42-35(21-29-13-9-10-14-38(29)45-42)30-23-34(28(5)6)37-26-36(43(49-20-8-2)46-40(37)25-30)31-22-33(27(3)4)32-15-16-41(44-39(32)24-31)47-17-11-12-18-47/h9-10,13-16,21-28H,7-8,11-12,17-20H2,1-6H3.
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-propoxyquinolin-3-yl)quinoline?
5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxy-7-(2-propoxyquinolin-3-yl)quinoline has a molecular weight of 652.88 g/mol, XLogP of 11.09, 11 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-propoxyquinolin-3-yl)quinoline is sourced from PubChem (CID 71451696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).