6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide

C18H14FN3O4 — CID 108789696

IUPAC6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C18H14FN3O4/c1-10-7-14(13-8-11(19)3-5-15(13)20-10)18(23)21-16-9-12(22(24)25)4-6-17(16)26-2/h3-9H,1-2H3,(H,21,23)
InChIKeyTXEALZCKZFJWAA-UHFFFAOYSA-N
MW355.33 g/mol
LogP3.85
Rot. Bonds4

About 6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide

6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide (PubChem CID 108789696) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is 6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
PubChem CID108789696
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C18H14FN3O4/c1-10-7-14(13-8-11(19)3-5-15(13)20-10)18(23)21-16-9-12(22(24)25)4-6-17(16)26-2/h3-9H,1-2H3,(H,21,23)
InChIKeyTXEALZCKZFJWAA-UHFFFAOYSA-N
XLogP3.85
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.85
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'}

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Related Compounds

6-fluoro-N-(2-hydroxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789694
6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108802569
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
CID 16797089
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 55582449
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 4196930
3-chloro-6-fluoro-N-(2-methoxy-5-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 16959985

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide (CID 108789696) is 6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is TXEALZCKZFJWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4/c1-10-7-14(13-8-11(19)3-5-15(13)20-10)18(23)21-16-9-12(22(24)25)4-6-17(16)26-2/h3-9H,1-2H3,(H,21,23).
What are the key properties of 6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide?
6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 355.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 108789696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).