6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one

C20H21FN4O2 — CID 72906962

IUPAC6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCn1ccnc1C(=O)C1CCCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1
InChIInChI=1S/C20H21FN4O2/c1-24-8-6-22-20(24)19(27)13-3-2-7-25(11-13)12-15-10-18(26)16-9-14(21)4-5-17(16)23-15/h4-6,8-10,13H,2-3,7,11-12H2,1H3,(H,23,26)
InChIKeyWYKXXOYVXNBNPH-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.50
Rot. Bonds4

About 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one

6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 72906962) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID72906962
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCn1ccnc1C(=O)C1CCCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1
InChIInChI=1S/C20H21FN4O2/c1-24-8-6-22-20(24)19(27)13-3-2-7-25(11-13)12-15-10-18(26)16-9-14(21)4-5-17(16)23-15/h4-6,8-10,13H,2-3,7,11-12H2,1H3,(H,23,26)
InChIKeyWYKXXOYVXNBNPH-UHFFFAOYSA-N
XLogP2.50
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

6-methyl-3-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56702126
6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95190113
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-6-fluoro-1H-quinolin-4-one
CID 156604880
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70731123
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70750788
2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
CID 72904106
6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72871549
[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 42162830
(1-methylimidazol-2-yl)-[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42147518
6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97110018

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one (CID 72906962) is 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one is Cn1ccnc1C(=O)C1CCCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1.
What is the InChIKey of 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is WYKXXOYVXNBNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-24-8-6-22-20(24)19(27)13-3-2-7-25(11-13)12-15-10-18(26)16-9-14(21)4-5-17(16)23-15/h4-6,8-10,13H,2-3,7,11-12H2,1H3,(H,23,26).
What are the key properties of 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 368.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72906962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).