(8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone

C14H10FN3O — CID 110464500

IUPAC(8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone
SMILESCc1nccn1C(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C14H10FN3O/c1-9-16-7-8-18(9)14(19)12-6-5-10-3-2-4-11(15)13(10)17-12/h2-8H,1H3
InChIKeyKGZKRHRATNYZOZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.57
Rot. Bonds1

About (8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone

(8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone (PubChem CID 110464500) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is (8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone.

Molecular Properties

Compound Name(8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone
PubChem CID110464500
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name(8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone
SMILESCc1nccn1C(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C14H10FN3O/c1-9-16-7-8-18(9)14(19)12-6-5-10-3-2-4-11(15)13(10)17-12/h2-8H,1H3
InChIKeyKGZKRHRATNYZOZ-UHFFFAOYSA-N
XLogP2.57
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-fluoroquinoline-2-carboxylate;2,2,2-trifluoroacetic acid
CID 175906706
(8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 70737643
(8-fluoroquinolin-2-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170505117
(4-bromophenyl)-(2-methylimidazol-1-yl)methanone
CID 110464875
1-[(3R,4S)-1-(8-fluoroquinoline-2-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134697538
ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate
CID 70729052
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone
CID 70781091
(9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95131147
8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
[3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol
CID 146043174
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166615913

Frequently Asked Questions

What is the IUPAC name of (8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone?
The IUPAC name of (8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone (CID 110464500) is (8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone.
What is the SMILES notation for (8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone?
The canonical SMILES for (8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone is Cc1nccn1C(=O)c1ccc2cccc(F)c2n1.
What is the InChIKey of (8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone?
The InChIKey is KGZKRHRATNYZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c1-9-16-7-8-18(9)14(19)12-6-5-10-3-2-4-11(15)13(10)17-12/h2-8H,1H3.
What are the key properties of (8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone?
(8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone has a molecular weight of 255.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone is sourced from PubChem (CID 110464500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).