4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine

C25H24N2O — CID 72950875

IUPAC4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccnc2ccccc12
InChIInChI=1S/C25H24N2O/c1-2-6-23-21(17-19-9-11-26-25-8-4-3-7-24(19)25)18-20(22(23)5-1)10-12-27-13-15-28-16-14-27/h1-9,11,17-18H,10,12-16H2/b21-17+
InChIKeyKDVIZCUZXUDFIB-HEHNFIMWSA-N
MW368.48 g/mol
LogP4.89
Rot. Bonds4

About 4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine

4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine (PubChem CID 72950875) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine
PubChem CID72950875
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccnc2ccccc12
InChIInChI=1S/C25H24N2O/c1-2-6-23-21(17-19-9-11-26-25-8-4-3-7-24(19)25)18-20(22(23)5-1)10-12-27-13-15-28-16-14-27/h1-9,11,17-18H,10,12-16H2/b21-17+
InChIKeyKDVIZCUZXUDFIB-HEHNFIMWSA-N
XLogP4.89
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine (CID 72950875) is 4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine is C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccnc2ccccc12.
What is the InChIKey of 4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine?
The InChIKey is KDVIZCUZXUDFIB-HEHNFIMWSA-N. The full InChI is InChI=1S/C25H24N2O/c1-2-6-23-21(17-19-9-11-26-25-8-4-3-7-24(19)25)18-20(22(23)5-1)10-12-27-13-15-28-16-14-27/h1-9,11,17-18H,10,12-16H2/b21-17+.
What are the key properties of 4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine has a molecular weight of 368.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-3-(quinolin-4-ylmethylidene)inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 72950875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).