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

C29H32N4O2 — CID 71449888

IUPAC4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine
SMILESCC(C)c1cc(-c2cc3ccccc3nc2N2CCOCC2)cc2nc(N3CCOCC3)ccc12
InChIInChI=1S/C29H32N4O2/c1-20(2)24-18-22(19-27-23(24)7-8-28(30-27)32-9-13-34-14-10-32)25-17-21-5-3-4-6-26(21)31-29(25)33-11-15-35-16-12-33/h3-8,17-20H,9-16H2,1-2H3
InChIKeyMEQUTNZDNMXACP-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.25
Rot. Bonds4

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

4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine (PubChem CID 71449888) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine
PubChem CID71449888
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine
SMILESCC(C)c1cc(-c2cc3ccccc3nc2N2CCOCC2)cc2nc(N3CCOCC3)ccc12
InChIInChI=1S/C29H32N4O2/c1-20(2)24-18-22(19-27-23(24)7-8-28(30-27)32-9-13-34-14-10-32)25-17-21-5-3-4-6-26(21)31-29(25)33-11-15-35-16-12-33/h3-8,17-20H,9-16H2,1-2H3
InChIKeyMEQUTNZDNMXACP-UHFFFAOYSA-N
XLogP5.25
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine?
The IUPAC name of 4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine (CID 71449888) is 4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine?
The canonical SMILES for 4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine is CC(C)c1cc(-c2cc3ccccc3nc2N2CCOCC2)cc2nc(N3CCOCC3)ccc12.
What is the InChIKey of 4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine?
The InChIKey is MEQUTNZDNMXACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-20(2)24-18-22(19-27-23(24)7-8-28(30-27)32-9-13-34-14-10-32)25-17-21-5-3-4-6-26(21)31-29(25)33-11-15-35-16-12-33/h3-8,17-20H,9-16H2,1-2H3.
What are the key properties of 4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine?
4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine has a molecular weight of 468.60 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine is sourced from PubChem (CID 71449888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).