7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide

C19H16FN3O3 — CID 46687409

IUPAC7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccc(F)cc2n1
InChIInChI=1S/C19H16FN3O3/c1-12-9-16(15-8-7-14(20)10-17(15)21-12)19(24)22(2)11-13-5-3-4-6-18(13)23(25)26/h3-10H,11H2,1-2H3
InChIKeyGVZUJUFWCRVAMG-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.86
Rot. Bonds4

About 7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide

7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide (PubChem CID 46687409) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide
PubChem CID46687409
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccc(F)cc2n1
InChIInChI=1S/C19H16FN3O3/c1-12-9-16(15-8-7-14(20)10-17(15)21-12)19(24)22(2)11-13-5-3-4-6-18(13)23(25)26/h3-10H,11H2,1-2H3
InChIKeyGVZUJUFWCRVAMG-UHFFFAOYSA-N
XLogP3.86
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide
CID 55608409
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide
CID 46413058
3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
CID 115645822
7-fluoro-N,2-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 70783263
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 110003775
7-fluoro-N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 109400346
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 39142258
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 46399434
N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide
CID 78860252
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489255

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide (CID 46687409) is 7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide?
The InChIKey is GVZUJUFWCRVAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-12-9-16(15-8-7-14(20)10-17(15)21-12)19(24)22(2)11-13-5-3-4-6-18(13)23(25)26/h3-10H,11H2,1-2H3.
What are the key properties of 7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide?
7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 46687409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).