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

C43H47N5O — CID 71451699

IUPAC2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
SMILESCCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCCC3)nc2c1
InChIInChI=1S/C43H47N5O/c1-6-49-43-36(31-23-33(27(2)3)32-15-16-41(44-39(32)25-31)47-17-9-10-18-47)26-37-34(28(4)5)22-30(24-40(37)46-43)35-21-29-13-7-8-14-38(29)45-42(35)48-19-11-12-20-48/h7-8,13-16,21-28H,6,9-12,17-20H2,1-5H3
InChIKeyNXWQHUGWPYFSLH-UHFFFAOYSA-N
MW649.88 g/mol
LogP10.51
Rot. Bonds8

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

2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline (PubChem CID 71451699) has the molecular formula C43H47N5O and a molecular weight of 649.88 g/mol. Its IUPAC name is 2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline.

Molecular Properties

Compound Name2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
PubChem CID71451699
Molecular FormulaC43H47N5O
Molecular Weight649.88 g/mol
Exact Mass649.38
IUPAC Name2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline
SMILESCCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCCC3)nc2c1
InChIInChI=1S/C43H47N5O/c1-6-49-43-36(31-23-33(27(2)3)32-15-16-41(44-39(32)25-31)47-17-9-10-18-47)26-37-34(28(4)5)22-30(24-40(37)46-43)35-21-29-13-7-8-14-38(29)45-42(35)48-19-11-12-20-48/h7-8,13-16,21-28H,6,9-12,17-20H2,1-5H3
InChIKeyNXWQHUGWPYFSLH-UHFFFAOYSA-N
XLogP10.51
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.88
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The IUPAC name of 2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline (CID 71451699) is 2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline.
What is the SMILES notation for 2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The canonical SMILES for 2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline is CCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCCC3)nc2c1.
What is the InChIKey of 2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
The InChIKey is NXWQHUGWPYFSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47N5O/c1-6-49-43-36(31-23-33(27(2)3)32-15-16-41(44-39(32)25-31)47-17-9-10-18-47)26-37-34(28(4)5)22-30(24-40(37)46-43)35-21-29-13-7-8-14-38(29)45-42(35)48-19-11-12-20-48/h7-8,13-16,21-28H,6,9-12,17-20H2,1-5H3.
What are the key properties of 2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline?
2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline has a molecular weight of 649.88 g/mol, XLogP of 10.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinoline is sourced from PubChem (CID 71451699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).