7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C22H21FN4O3 — CID 42895932

IUPAC7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cccc(C(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c2nccn2C)c1
InChIInChI=1S/C22H21FN4O3/c1-27-9-8-24-21(27)20(13-4-3-5-15(10-13)30-2)26-22(29)17-12-19(28)25-18-11-14(23)6-7-16(17)18/h3-11,17,20H,12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyGAAFIFSJKAEEAC-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.90
Rot. Bonds5

About 7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 42895932) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID42895932
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cccc(C(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c2nccn2C)c1
InChIInChI=1S/C22H21FN4O3/c1-27-9-8-24-21(27)20(13-4-3-5-15(10-13)30-2)26-22(29)17-12-19(28)25-18-11-14(23)6-7-16(17)18/h3-11,17,20H,12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyGAAFIFSJKAEEAC-UHFFFAOYSA-N
XLogP2.90
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269278
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204
1-(4-fluorophenyl)sulfonyl-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 25358350
1-(2,4-difluorophenyl)-3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390772
1-(2,4-difluorophenyl)-3-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390771
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86990620
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55759241
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 46528259

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 42895932) is 7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COc1cccc(C(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c2nccn2C)c1.
What is the InChIKey of 7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is GAAFIFSJKAEEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-27-9-8-24-21(27)20(13-4-3-5-15(10-13)30-2)26-22(29)17-12-19(28)25-18-11-14(23)6-7-16(17)18/h3-11,17,20H,12H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 42895932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).