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

C44H49N5O2 — CID 71453528

IUPAC4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine
SMILESCCCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1
InChIInChI=1S/C44H49N5O2/c1-6-19-51-44-37(32-24-34(28(2)3)33-13-14-42(45-40(33)26-32)48-17-20-50-21-18-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-11-7-8-12-39(30)46-43(36)49-15-9-10-16-49/h7-8,11-14,22-29H,6,9-10,15-21H2,1-5H3
InChIKeyFLUDSCOWOYIACK-UHFFFAOYSA-N
MW679.91 g/mol
LogP10.14
Rot. Bonds9

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

4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine (PubChem CID 71453528) has the molecular formula C44H49N5O2 and a molecular weight of 679.91 g/mol. Its IUPAC name is 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine
PubChem CID71453528
Molecular FormulaC44H49N5O2
Molecular Weight679.91 g/mol
Exact Mass679.39
IUPAC Name4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine
SMILESCCCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1
InChIInChI=1S/C44H49N5O2/c1-6-19-51-44-37(32-24-34(28(2)3)33-13-14-42(45-40(33)26-32)48-17-20-50-21-18-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-11-7-8-12-39(30)46-43(36)49-15-9-10-16-49/h7-8,11-14,22-29H,6,9-10,15-21H2,1-5H3
InChIKeyFLUDSCOWOYIACK-UHFFFAOYSA-N
XLogP10.14
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.91
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine?
The IUPAC name of 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine (CID 71453528) is 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine is CCCOc1nc2cc(-c3cc4ccccc4nc3N3CCCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine?
The InChIKey is FLUDSCOWOYIACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49N5O2/c1-6-19-51-44-37(32-24-34(28(2)3)33-13-14-42(45-40(33)26-32)48-17-20-50-21-18-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-11-7-8-12-39(30)46-43(36)49-15-9-10-16-49/h7-8,11-14,22-29H,6,9-10,15-21H2,1-5H3.
What are the key properties of 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine?
4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine has a molecular weight of 679.91 g/mol, XLogP of 10.14, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-pyrrolidin-1-ylquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine is sourced from PubChem (CID 71453528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).