4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine

C24H30N2O4 — CID 1130323

IUPAC4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine
SMILESc1ccc2c3c(cc(N4CCOCC4)c2c1)O[C@@]1(N2CCOCC2)CCCC[C@H]1O3
InChIInChI=1S/C24H30N2O4/c1-2-6-19-18(5-1)20(25-9-13-27-14-10-25)17-21-23(19)29-22-7-3-4-8-24(22,30-21)26-11-15-28-16-12-26/h1-2,5-6,17,22H,3-4,7-16H2/t22-,24+/m1/s1
InChIKeyLYOMNIBWARIBRS-VWNXMTODSA-N
MW410.51 g/mol
LogP3.42
Rot. Bonds2

About 4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine

4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine (PubChem CID 1130323) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine.

Molecular Properties

Compound Name4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine
PubChem CID1130323
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine
SMILESc1ccc2c3c(cc(N4CCOCC4)c2c1)O[C@@]1(N2CCOCC2)CCCC[C@H]1O3
InChIInChI=1S/C24H30N2O4/c1-2-6-19-18(5-1)20(25-9-13-27-14-10-25)17-21-23(19)29-22-7-3-4-8-24(22,30-21)26-11-15-28-16-12-26/h1-2,5-6,17,22H,3-4,7-16H2/t22-,24+/m1/s1
InChIKeyLYOMNIBWARIBRS-VWNXMTODSA-N
XLogP3.42
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol
CID 95561849
(4aS,9S,9aS)-4a-morpholin-4-yl-N-phenyl-1,2,3,4,9,9a-hexahydroxanthen-9-amine
CID 139066052
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
4-[1-phenyl-3,3-bis(4-pyrrolidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
CID 164569567
3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 627722
4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine
CID 18714042
7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine
CID 11486756
4-[3-(4-methylphenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
CID 23514747
1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide
CID 69166304
4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride
CID 122554560
4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
CID 59805283
4-morpholin-4-ylbenzo[g]chromen-2-one
CID 11346540

Frequently Asked Questions

What is the IUPAC name of 4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine?
The IUPAC name of 4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine (CID 1130323) is 4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine.
What is the SMILES notation for 4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine?
The canonical SMILES for 4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine is c1ccc2c3c(cc(N4CCOCC4)c2c1)O[C@@]1(N2CCOCC2)CCCC[C@H]1O3.
What is the InChIKey of 4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine?
The InChIKey is LYOMNIBWARIBRS-VWNXMTODSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-2-6-19-18(5-1)20(25-9-13-27-14-10-25)17-21-23(19)29-22-7-3-4-8-24(22,30-21)26-11-15-28-16-12-26/h1-2,5-6,17,22H,3-4,7-16H2/t22-,24+/m1/s1.
What are the key properties of 4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine?
4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine has a molecular weight of 410.51 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine is sourced from PubChem (CID 1130323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).