2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide

C15H21N3O3 — CID 77033888

IUPAC2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C15H21N3O3/c1-11(15(19)16-8-10-21-2)18-9-7-13(17-20)12-5-3-4-6-14(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19)
InChIKeyVJTNDRIFNSNDGE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.23
Rot. Bonds5

About 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide

2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 77033888) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide
PubChem CID77033888
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C15H21N3O3/c1-11(15(19)16-8-10-21-2)18-9-7-13(17-20)12-5-3-4-6-14(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19)
InChIKeyVJTNDRIFNSNDGE-UHFFFAOYSA-N
XLogP1.23
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033947
2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 77033454
N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033494
N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033411
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337205
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 9248289
(2S)-N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2224775
N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
CID 64851237
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]butanamide
CID 114337268
N-(cyanomethyl)-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337260
3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114337171

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide (CID 77033888) is 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N1CCC(=NO)c2ccccc21.
What is the InChIKey of 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is VJTNDRIFNSNDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(15(19)16-8-10-21-2)18-9-7-13(17-20)12-5-3-4-6-14(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide?
2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 77033888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).