2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

C15H21N3O3 — CID 77033454

IUPAC2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCC(=NO)c2ccccc21
InChIInChI=1S/C15H21N3O3/c1-11(10-21-2)16-15(19)9-18-8-7-13(17-20)12-5-3-4-6-14(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19)
InChIKeyALIPXCOXLAMBJI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.23
Rot. Bonds5

About 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 77033454) 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-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID77033454
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCC(=NO)c2ccccc21
InChIInChI=1S/C15H21N3O3/c1-11(10-21-2)16-15(19)9-18-8-7-13(17-20)12-5-3-4-6-14(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19)
InChIKeyALIPXCOXLAMBJI-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': '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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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 77033454) is 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN1CCC(=NO)c2ccccc21.
What is the InChIKey of 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is ALIPXCOXLAMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(10-21-2)16-15(19)9-18-8-7-13(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-(1-methoxypropan-2-yl)acetamide?
2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide 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-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 77033454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).