3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane

C21H35N3O2 — CID 145142320

IUPAC3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane
SMILESC=C(O)C(N)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc12.CC.CC
InChIInChI=1S/C17H23N3O2.2C2H6/c1-11-14(10-16(18)12(2)21)15-9-13(3-4-17(15)19-11)20-5-7-22-8-6-20;2*1-2/h3-4,9,16,19,21H,2,5-8,10,18H2,1H3;2*1-2H3
InChIKeyYGLHAPVWSUZETB-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.31
Rot. Bonds4

About 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane

3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane (PubChem CID 145142320) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane.

Molecular Properties

Compound Name3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane
PubChem CID145142320
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane
SMILESC=C(O)C(N)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc12.CC.CC
InChIInChI=1S/C17H23N3O2.2C2H6/c1-11-14(10-16(18)12(2)21)15-9-13(3-4-17(15)19-11)20-5-7-22-8-6-20;2*1-2/h3-4,9,16,19,21H,2,5-8,10,18H2,1H3;2*1-2H3
InChIKeyYGLHAPVWSUZETB-UHFFFAOYSA-N
XLogP4.31
TPSA74.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane 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

3-amino-4-(2-methyl-7-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane
CID 145142369
3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid
CID 139519298
3-[(4-benzhydrylpiperazin-1-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one
CID 16832269
3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one
CID 4091501
(2S)-2-amino-3-(5-chloro-2-methyl-1H-indol-3-yl)propanoic acid
CID 91184565
2-amino-3-(5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142423
2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one
CID 7212941
4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170871001
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
CID 170884277
ethyl 6-morpholin-4-yl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 11652799
2-amino-3-(6-hydroxy-2-methyl-1H-indol-3-yl)propanoic acid
CID 82620288

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane?
The IUPAC name of 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane (CID 145142320) is 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane.
What is the SMILES notation for 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane?
The canonical SMILES for 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane is C=C(O)C(N)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc12.CC.CC.
What is the InChIKey of 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane?
The InChIKey is YGLHAPVWSUZETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.2C2H6/c1-11-14(10-16(18)12(2)21)15-9-13(3-4-17(15)19-11)20-5-7-22-8-6-20;2*1-2/h3-4,9,16,19,21H,2,5-8,10,18H2,1H3;2*1-2H3.
What are the key properties of 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane?
3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane has a molecular weight of 361.53 g/mol, XLogP of 4.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane is sourced from PubChem (CID 145142320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).