(7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone

C20H21FN4O2 — CID 86929470

IUPAC(7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3cc(C)on3)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C20H21FN4O2/c1-13-9-18(17-4-3-15(21)11-19(17)22-13)20(26)25-7-5-24(6-8-25)12-16-10-14(2)27-23-16/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyAKVXEMFTBZPRDM-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.94
Rot. Bonds3

About (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone

(7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 86929470) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID86929470
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name(7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3cc(C)on3)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C20H21FN4O2/c1-13-9-18(17-4-3-15(21)11-19(17)22-13)20(26)25-7-5-24(6-8-25)12-16-10-14(2)27-23-16/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyAKVXEMFTBZPRDM-UHFFFAOYSA-N
XLogP2.94
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503809
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
(4-fluorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423049
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46686968
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46407821
8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709661
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
2-(4-fluorophenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110423065

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone (CID 86929470) is (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(Cc3cc(C)on3)CC2)c2ccc(F)cc2n1.
What is the InChIKey of (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is AKVXEMFTBZPRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-13-9-18(17-4-3-15(21)11-19(17)22-13)20(26)25-7-5-24(6-8-25)12-16-10-14(2)27-23-16/h3-4,9-11H,5-8,12H2,1-2H3.
What are the key properties of (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
(7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 368.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86929470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).