7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol

C23H18FN3O3 — CID 19233197

IUPAC7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol
SMILESCc1ccc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C23H18FN3O3/c1-14-4-11-19(20(13-14)27(29)30)26-21(16-5-8-17(24)9-6-16)18-10-7-15-3-2-12-25-22(15)23(18)28/h2-13,21,26,28H,1H3
InChIKeyXAEXRGTXTVUCTH-UHFFFAOYSA-N
MW403.41 g/mol
LogP5.50
Rot. Bonds5

About 7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol

7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol (PubChem CID 19233197) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol
PubChem CID19233197
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol
SMILESCc1ccc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C23H18FN3O3/c1-14-4-11-19(20(13-14)27(29)30)26-21(16-5-8-17(24)9-6-16)18-10-7-15-3-2-12-25-22(15)23(18)28/h2-13,21,26,28H,1H3
InChIKeyXAEXRGTXTVUCTH-UHFFFAOYSA-N
XLogP5.50
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
CID 2278455
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 35026479
7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821
7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1180433
cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
CID 10509772
7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7025586
4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146474891
7-[(R)-[(3-hydroxypyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol
CID 7808519

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol (CID 19233197) is 7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol is Cc1ccc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)c([N+](=O)[O-])c1.
What is the InChIKey of 7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol?
The InChIKey is XAEXRGTXTVUCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-14-4-11-19(20(13-14)27(29)30)26-21(16-5-8-17(24)9-6-16)18-10-7-15-3-2-12-25-22(15)23(18)28/h2-13,21,26,28H,1H3.
What are the key properties of 7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol?
7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol has a molecular weight of 403.41 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 19233197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).