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

C27H29N3O2 — CID 71462421

IUPAC4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine
SMILESCCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCOCC3)cc2n1
InChIInChI=1S/C27H29N3O2/c1-4-32-26-10-9-21-22(18(2)3)16-20(17-25(21)28-26)23-15-19-7-5-6-8-24(19)29-27(23)30-11-13-31-14-12-30/h5-10,15-18H,4,11-14H2,1-3H3
InChIKeyRSTOHUDMHLBFLR-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.81
Rot. Bonds5

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

4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine (PubChem CID 71462421) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine
PubChem CID71462421
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine
SMILESCCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCOCC3)cc2n1
InChIInChI=1S/C27H29N3O2/c1-4-32-26-10-9-21-22(18(2)3)16-20(17-25(21)28-26)23-15-19-7-5-6-8-24(19)29-27(23)30-11-13-31-14-12-30/h5-10,15-18H,4,11-14H2,1-3H3
InChIKeyRSTOHUDMHLBFLR-UHFFFAOYSA-N
XLogP5.81
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine?
The IUPAC name of 4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine (CID 71462421) is 4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine?
The canonical SMILES for 4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine is CCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCOCC3)cc2n1.
What is the InChIKey of 4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine?
The InChIKey is RSTOHUDMHLBFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-4-32-26-10-9-21-22(18(2)3)16-20(17-25(21)28-26)23-15-19-7-5-6-8-24(19)29-27(23)30-11-13-31-14-12-30/h5-10,15-18H,4,11-14H2,1-3H3.
What are the key properties of 4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine?
4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine has a molecular weight of 427.55 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxy-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine is sourced from PubChem (CID 71462421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).