9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one

C21H26N4O3 — CID 90036259

IUPAC9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one
SMILESCCC(=O)CCCCCC(N)c1nnc(-c2cc3ccccc3nc2OC)o1
InChIInChI=1S/C21H26N4O3/c1-3-15(26)10-5-4-6-11-17(22)21-25-24-20(28-21)16-13-14-9-7-8-12-18(14)23-19(16)27-2/h7-9,12-13,17H,3-6,10-11,22H2,1-2H3
InChIKeyVYFPGEYYVXGWTC-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.22
Rot. Bonds10

About 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one

9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one (PubChem CID 90036259) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one.

Molecular Properties

Compound Name9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one
PubChem CID90036259
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one
SMILESCCC(=O)CCCCCC(N)c1nnc(-c2cc3ccccc3nc2OC)o1
InChIInChI=1S/C21H26N4O3/c1-3-15(26)10-5-4-6-11-17(22)21-25-24-20(28-21)16-13-14-9-7-8-12-18(14)23-19(16)27-2/h7-9,12-13,17H,3-6,10-11,22H2,1-2H3
InChIKeyVYFPGEYYVXGWTC-UHFFFAOYSA-N
XLogP4.22
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one with MolForge

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Related Compounds

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
tert-butyl 5-[[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]carbamoyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
CID 162506665
2-[(dimethylamino)methyl]butanamide;9-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]nonan-3-one
CID 144568149
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-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]formamide
CID 166912612
(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
3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide
CID 87331442
9-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]nonan-3-one;3-(piperidin-1-ylmethyl)-4,5-dihydro-1,2-thiazole-5-carboxamide
CID 144568112
2-[amino-[(Z)-2-aminoethenyl]amino]-N-methylacetamide;9-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]nonan-3-one
CID 144568126
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-5-methyl-5-azaspiro[2.3]hexane-2-carboxamide
CID 162506701
(R)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-7-oxononyl]-2-methylpropane-2-sulfinamide
CID 162506824

Frequently Asked Questions

What is the IUPAC name of 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one?
The IUPAC name of 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one (CID 90036259) is 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one.
What is the SMILES notation for 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one?
The canonical SMILES for 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one is CCC(=O)CCCCCC(N)c1nnc(-c2cc3ccccc3nc2OC)o1.
What is the InChIKey of 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one?
The InChIKey is VYFPGEYYVXGWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-15(26)10-5-4-6-11-17(22)21-25-24-20(28-21)16-13-14-9-7-8-12-18(14)23-19(16)27-2/h7-9,12-13,17H,3-6,10-11,22H2,1-2H3.
What are the key properties of 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one?
9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one has a molecular weight of 382.46 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one is sourced from PubChem (CID 90036259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).