4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine

C43H47N5O2 — CID 71458897

IUPAC4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine
SMILESCCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1
InChIInChI=1S/C43H47N5O2/c1-6-50-43-36(31-23-33(27(2)3)32-13-14-41(44-39(32)25-31)47-17-19-49-20-18-47)26-37-34(28(4)5)22-30(24-40(37)46-43)35-21-29-11-7-8-12-38(29)45-42(35)48-15-9-10-16-48/h7-8,11-14,21-28H,6,9-10,15-20H2,1-5H3
InChIKeyIRLUKKQGLNMMQK-UHFFFAOYSA-N
MW665.88 g/mol
LogP9.75
Rot. Bonds8

About 4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine

4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine (PubChem CID 71458897) has the molecular formula C43H47N5O2 and a molecular weight of 665.88 g/mol. Its IUPAC name is 4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine
PubChem CID71458897
Molecular FormulaC43H47N5O2
Molecular Weight665.88 g/mol
Exact Mass665.37
IUPAC Name4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine
SMILESCCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1
InChIInChI=1S/C43H47N5O2/c1-6-50-43-36(31-23-33(27(2)3)32-13-14-41(44-39(32)25-31)47-17-19-49-20-18-47)26-37-34(28(4)5)22-30(24-40(37)46-43)35-21-29-11-7-8-12-38(29)45-42(35)48-15-9-10-16-48/h7-8,11-14,21-28H,6,9-10,15-20H2,1-5H3
InChIKeyIRLUKKQGLNMMQK-UHFFFAOYSA-N
XLogP9.75
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.88
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine?
The IUPAC name of 4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine (CID 71458897) is 4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine.
What is the SMILES notation for 4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine?
The canonical SMILES for 4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine is CCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine?
The InChIKey is IRLUKKQGLNMMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47N5O2/c1-6-50-43-36(31-23-33(27(2)3)32-13-14-41(44-39(32)25-31)47-17-19-49-20-18-47)26-37-34(28(4)5)22-30(24-40(37)46-43)35-21-29-11-7-8-12-38(29)45-42(35)48-15-9-10-16-48/h7-8,11-14,21-28H,6,9-10,15-20H2,1-5H3.
What are the key properties of 4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine?
4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine has a molecular weight of 665.88 g/mol, XLogP of 9.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[2-ethoxy-5-propan-2-yl-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]-5-propan-2-ylquinolin-2-yl]morpholine is sourced from PubChem (CID 71458897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).