4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one

C21H24N4O3 — CID 163997451

IUPAC4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one
SMILESO=c1[nH]nc2c3c(cccc13)OC1C=CC(CNCCN3CCOCC3)=CC21
InChIInChI=1S/C21H24N4O3/c26-21-15-2-1-3-18-19(15)20(23-24-21)16-12-14(4-5-17(16)28-18)13-22-6-7-25-8-10-27-11-9-25/h1-5,12,16-17,22H,6-11,13H2,(H,24,26)
InChIKeyUFYTUIBYYNIULJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.19
Rot. Bonds5

About 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one

4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one (PubChem CID 163997451) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one.

Molecular Properties

Compound Name4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one
PubChem CID163997451
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one
SMILESO=c1[nH]nc2c3c(cccc13)OC1C=CC(CNCCN3CCOCC3)=CC21
InChIInChI=1S/C21H24N4O3/c26-21-15-2-1-3-18-19(15)20(23-24-21)16-12-14(4-5-17(16)28-18)13-22-6-7-25-8-10-27-11-9-25/h1-5,12,16-17,22H,6-11,13H2,(H,24,26)
InChIKeyUFYTUIBYYNIULJ-UHFFFAOYSA-N
XLogP1.19
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one with MolForge

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

Launch Full Analysis

Related Compounds

ethane;4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
CID 143265671
1-(2-morpholin-4-ylethyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea;hydrochloride
CID 23449447
3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride
CID 161498572
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
2-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663033
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
CID 124895932
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 9143979
N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 107234652
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 82705234
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-morpholin-4-ylethanamine
CID 80649987
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
4-(morpholin-4-ylmethyl)-2,8,15,16-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,7,9,11,13(17)-heptaen-14-one
CID 146324027

Frequently Asked Questions

What is the IUPAC name of 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one?
The IUPAC name of 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one (CID 163997451) is 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one.
What is the SMILES notation for 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one?
The canonical SMILES for 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one is O=c1[nH]nc2c3c(cccc13)OC1C=CC(CNCCN3CCOCC3)=CC21.
What is the InChIKey of 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one?
The InChIKey is UFYTUIBYYNIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-21-15-2-1-3-18-19(15)20(23-24-21)16-12-14(4-5-17(16)28-18)13-22-6-7-25-8-10-27-11-9-25/h1-5,12,16-17,22H,6-11,13H2,(H,24,26).
What are the key properties of 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one?
4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one has a molecular weight of 380.45 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9,11,13(17)-hexaen-14-one is sourced from PubChem (CID 163997451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).