4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide

C16H15N3O2 — CID 77033686

IUPAC4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C16H15N3O2/c20-16(17-12-6-2-1-3-7-12)19-11-10-14(18-21)13-8-4-5-9-15(13)19/h1-9,21H,10-11H2,(H,17,20)
InChIKeyFAYAWOREHJCCCZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.31
Rot. Bonds1

About 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide

4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide (PubChem CID 77033686) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound Name4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide
PubChem CID77033686
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C16H15N3O2/c20-16(17-12-6-2-1-3-7-12)19-11-10-14(18-21)13-8-4-5-9-15(13)19/h1-9,21H,10-11H2,(H,17,20)
InChIKeyFAYAWOREHJCCCZ-UHFFFAOYSA-N
XLogP3.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide 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

methyl (5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepine-1-carboxylate
CID 114337121
(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033396
1-[(1-acetyl-2,3-dihydroquinolin-4-ylidene)amino]-3-phenylthiourea
CID 175010049
cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone
CID 114337075
(1,1-dioxothiolan-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77050054
1-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 77033398
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
CID 77033785
[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone
CID 104670605
6-fluoro-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 110635094
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone
CID 77033492
[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(oxan-4-yl)methanone
CID 114337052
1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone
CID 107939249

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide?
The IUPAC name of 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide (CID 77033686) is 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide.
What is the SMILES notation for 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide?
The canonical SMILES for 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide is O=C(Nc1ccccc1)N1CCC(=NO)c2ccccc21.
What is the InChIKey of 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide?
The InChIKey is FAYAWOREHJCCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16(17-12-6-2-1-3-7-12)19-11-10-14(18-21)13-8-4-5-9-15(13)19/h1-9,21H,10-11H2,(H,17,20).
What are the key properties of 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide?
4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 77033686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).