ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine

C23H32N2O4 — CID 142235172

IUPACethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine
SMILESC=C/C=C(\C)Oc1ccnc2cc(OCCN3CCOCC3)c(OC)cc12.CC
InChIInChI=1S/C21H26N2O4.C2H6/c1-4-5-16(2)27-19-6-7-22-18-15-21(20(24-3)14-17(18)19)26-13-10-23-8-11-25-12-9-23;1-2/h4-7,14-15H,1,8-13H2,2-3H3;1-2H3/b16-5+;
InChIKeyLEXHBEULIRHMPW-SYRJXDITSA-N
MW400.52 g/mol
LogP4.45
Rot. Bonds8

About ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine

ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine (PubChem CID 142235172) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine.

Molecular Properties

Compound Nameethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine
PubChem CID142235172
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Nameethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine
SMILESC=C/C=C(\C)Oc1ccnc2cc(OCCN3CCOCC3)c(OC)cc12.CC
InChIInChI=1S/C21H26N2O4.C2H6/c1-4-5-16(2)27-19-6-7-22-18-15-21(20(24-3)14-17(18)19)26-13-10-23-8-11-25-12-9-23;1-2/h4-7,14-15H,1,8-13H2,2-3H3;1-2H3/b16-5+;
InChIKeyLEXHBEULIRHMPW-SYRJXDITSA-N
XLogP4.45
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine with MolForge

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Related Compounds

4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol
CID 54167934
sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate
CID 141269409
2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol
CID 22646596
4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine
CID 144689103
4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 123411897
4-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]morpholine
CID 11111537
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59791935
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide
CID 58249580
N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide
CID 67074506
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 141472646
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine?
The IUPAC name of ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine (CID 142235172) is ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine.
What is the SMILES notation for ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine?
The canonical SMILES for ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine is C=C/C=C(\C)Oc1ccnc2cc(OCCN3CCOCC3)c(OC)cc12.CC.
What is the InChIKey of ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine?
The InChIKey is LEXHBEULIRHMPW-SYRJXDITSA-N. The full InChI is InChI=1S/C21H26N2O4.C2H6/c1-4-5-16(2)27-19-6-7-22-18-15-21(20(24-3)14-17(18)19)26-13-10-23-8-11-25-12-9-23;1-2/h4-7,14-15H,1,8-13H2,2-3H3;1-2H3/b16-5+;.
What are the key properties of ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine?
ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine has a molecular weight of 400.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine is sourced from PubChem (CID 142235172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).