(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone

C17H20FN3O — CID 71877137

IUPAC(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCN(C)CC1C
InChIInChI=1S/C17H20FN3O/c1-11-10-20(3)6-7-21(11)17(22)15-8-13-4-5-14(18)9-16(13)19-12(15)2/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyNIAKWQSGCFTMEE-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.46
Rot. Bonds1

About (2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone

(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone (PubChem CID 71877137) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone
PubChem CID71877137
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCN(C)CC1C
InChIInChI=1S/C17H20FN3O/c1-11-10-20(3)6-7-21(11)17(22)15-8-13-4-5-14(18)9-16(13)19-12(15)2/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyNIAKWQSGCFTMEE-UHFFFAOYSA-N
XLogP2.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
(2,4-dimethyl-1,4-diazepan-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 114086778
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-fluoro-2-methylquinolin-3-yl)methanone
CID 94643322
(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56825019
3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124697534
(7-fluoro-2-methylquinolin-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 18127031
ethyl 4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 46808248
N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51942305
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728867
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
(2,4-dimethyl-1,4-diazepan-1-yl)-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46999816

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone (CID 71877137) is (2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone is Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(C)CC1C.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone?
The InChIKey is NIAKWQSGCFTMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11-10-20(3)6-7-21(11)17(22)15-8-13-4-5-14(18)9-16(13)19-12(15)2/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone?
(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone has a molecular weight of 301.37 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone is sourced from PubChem (CID 71877137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).