3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide

C26H35N5O4 — CID 87331442

IUPAC3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CCN(C)C)c1nnc(-c2cc(OC)c3ccccc3n2)o1
InChIInChI=1S/C26H35N5O4/c1-5-18(32)11-7-6-8-14-21(28-24(33)15-16-31(2)3)25-29-30-26(35-25)22-17-23(34-4)19-12-9-10-13-20(19)27-22/h9-10,12-13,17,21H,5-8,11,14-16H2,1-4H3,(H,28,33)/t21-/m0/s1
InChIKeyOCJYSEIHFNJMSE-NRFANRHFSA-N
MW481.60 g/mol
LogP4.33
Rot. Bonds14

About 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide

3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide (PubChem CID 87331442) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide
PubChem CID87331442
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CCN(C)C)c1nnc(-c2cc(OC)c3ccccc3n2)o1
InChIInChI=1S/C26H35N5O4/c1-5-18(32)11-7-6-8-14-21(28-24(33)15-16-31(2)3)25-29-30-26(35-25)22-17-23(34-4)19-12-9-10-13-20(19)27-22/h9-10,12-13,17,21H,5-8,11,14-16H2,1-4H3,(H,28,33)/t21-/m0/s1
InChIKeyOCJYSEIHFNJMSE-NRFANRHFSA-N
XLogP4.33
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide 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

N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide
CID 11670175
3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide
CID 90036414
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]acetamide
CID 73057225
3-(1H-imidazol-3-ium-3-yl)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1H-imidazol-2-yl]-7-oxononyl]propanamide
CID 91059368
9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one
CID 90036259
3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]propanamide;2,2,2-trifluoroacetic acid
CID 171929618
1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide
CID 67267522
3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]propanamide
CID 73053736
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-pyrazolo[1,5-a]pyrimidin-2-ylacetamide
CID 73056311
N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-5-oxoheptyl]-1-azabicyclo[2.2.2]octane-4-carboxamide
CID 11568824
(2S,4S)-4-fluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylpyrrolidine-2-carboxamide
CID 73055143
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide
CID 67268443

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide (CID 87331442) is 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide is CCC(=O)CCCCC[C@H](NC(=O)CCN(C)C)c1nnc(-c2cc(OC)c3ccccc3n2)o1.
What is the InChIKey of 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide?
The InChIKey is OCJYSEIHFNJMSE-NRFANRHFSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-5-18(32)11-7-6-8-14-21(28-24(33)15-16-31(2)3)25-29-30-26(35-25)22-17-23(34-4)19-12-9-10-13-20(19)27-22/h9-10,12-13,17,21H,5-8,11,14-16H2,1-4H3,(H,28,33)/t21-/m0/s1.
What are the key properties of 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide?
3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide has a molecular weight of 481.60 g/mol, XLogP of 4.33, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide is sourced from PubChem (CID 87331442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).