7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide

C16H17FN4O3 — CID 143027080

IUPAC7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide
SMILES[H]/N=C/n1/c(=N/[H])c(C(=O)NOC2CCCCO2)cc2ccc(F)cc21
InChIInChI=1S/C16H17FN4O3/c17-11-5-4-10-7-12(15(19)21(9-18)13(10)8-11)16(22)20-24-14-3-1-2-6-23-14/h4-5,7-9,14,18-19H,1-3,6H2,(H,20,22)/b18-9+,19-15+
InChIKeyPTXMSBYMALOHQW-RKACFXBMSA-N
MW332.33 g/mol
LogP1.90
Rot. Bonds4

About 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide

7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide (PubChem CID 143027080) has the molecular formula C16H17FN4O3 and a molecular weight of 332.33 g/mol. Its IUPAC name is 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide
PubChem CID143027080
Molecular FormulaC16H17FN4O3
Molecular Weight332.33 g/mol
Exact Mass332.13
IUPAC Name7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide
SMILES[H]/N=C/n1/c(=N/[H])c(C(=O)NOC2CCCCO2)cc2ccc(F)cc21
InChIInChI=1S/C16H17FN4O3/c17-11-5-4-10-7-12(15(19)21(9-18)13(10)8-11)16(22)20-24-14-3-1-2-6-23-14/h4-5,7-9,14,18-19H,1-3,6H2,(H,20,22)/b18-9+,19-15+
InChIKeyPTXMSBYMALOHQW-RKACFXBMSA-N
XLogP1.90
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-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

2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94817259
4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828159
8-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 11416753
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
1-[1-(2,4-difluorophenyl)cyclobutyl]-3-[(2S)-oxan-2-yl]oxyurea
CID 99718676
7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 59696725
5-(oxan-2-yloxycarbamoyl)-1,3-dihydroisoindole-2-carboxylic acid
CID 123685392
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide
CID 95342216
N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide
CID 99792755
5-ethyl-2-hydroxy-N-[(2R)-oxan-2-yl]oxybenzamide
CID 95301604
3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-(oxan-2-yloxy)benzamide
CID 155346285

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide (CID 143027080) is 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide is [H]/N=C/n1/c(=N/[H])c(C(=O)NOC2CCCCO2)cc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide?
The InChIKey is PTXMSBYMALOHQW-RKACFXBMSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-11-5-4-10-7-12(15(19)21(9-18)13(10)8-11)16(22)20-24-14-3-1-2-6-23-14/h4-5,7-9,14,18-19H,1-3,6H2,(H,20,22)/b18-9+,19-15+.
What are the key properties of 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide?
7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide is sourced from PubChem (CID 143027080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).