4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene

C22H25FN2O4 — CID 143647690

IUPAC4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene
SMILESCC.COc1cc2c(C3CC3)ccnc2cc1O.Cc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H13NO2.C7H6FNO2.C2H6/c1-16-13-6-10-9(8-2-3-8)4-5-14-11(10)7-12(13)15;1-5-2-3-6(9(10)11)4-7(5)8;1-2/h4-8,15H,2-3H2,1H3;2-4H,1H3;1-2H3
InChIKeyCMBHOJCPFJFWEV-UHFFFAOYSA-N
MW400.45 g/mol
LogP5.89
Rot. Bonds3

About 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene

4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene (PubChem CID 143647690) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene.

Molecular Properties

Compound Name4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene
PubChem CID143647690
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene
SMILESCC.COc1cc2c(C3CC3)ccnc2cc1O.Cc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H13NO2.C7H6FNO2.C2H6/c1-16-13-6-10-9(8-2-3-8)4-5-14-11(10)7-12(13)15;1-5-2-3-6(9(10)11)4-7(5)8;1-2/h4-8,15H,2-3H2,1H3;2-4H,1H3;1-2H3
InChIKeyCMBHOJCPFJFWEV-UHFFFAOYSA-N
XLogP5.89
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene 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

ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol
CID 135621708
ethane;2-methoxy-4-nitrophenol
CID 91188946
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
1-fluoro-2-methoxy-4-nitrobenzene;2-fluoro-5-nitrophenol;iodomethane
CID 159872885
2-cyclopropyl-4-nitrophenol
CID 58858109
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide
CID 143647657
7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylmethoxy)-4-(2-fluoro-4-nitrophenoxy)-6-methoxyquinoline;7-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylmethoxy)-4-(2-fluoro-4-nitrophenoxy)-6-methoxyquinoline
CID 91061832
1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one
CID 167564683

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene?
The IUPAC name of 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene (CID 143647690) is 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene.
What is the SMILES notation for 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene?
The canonical SMILES for 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene is CC.COc1cc2c(C3CC3)ccnc2cc1O.Cc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene?
The InChIKey is CMBHOJCPFJFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.C7H6FNO2.C2H6/c1-16-13-6-10-9(8-2-3-8)4-5-14-11(10)7-12(13)15;1-5-2-3-6(9(10)11)4-7(5)8;1-2/h4-8,15H,2-3H2,1H3;2-4H,1H3;1-2H3.
What are the key properties of 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene?
4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene has a molecular weight of 400.45 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene is sourced from PubChem (CID 143647690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).