(7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

C23H24FN3O — CID 39503809

IUPAC(7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C23H24FN3O/c1-17-15-21(20-8-7-19(24)16-22(20)25-17)23(28)27-13-11-26(12-14-27)10-9-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3
InChIKeyXXLGZOYGOPVHBP-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.68
Rot. Bonds4

About (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

(7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 39503809) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID39503809
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name(7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C23H24FN3O/c1-17-15-21(20-8-7-19(24)16-22(20)25-17)23(28)27-13-11-26(12-14-27)10-9-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3
InChIKeyXXLGZOYGOPVHBP-UHFFFAOYSA-N
XLogP3.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
(7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86929470
[4-(2-phenylethyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 24627504
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46686968
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057
[2-(3-methoxy-4-methylphenyl)quinolin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 143490050
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709661
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70759141
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46407821

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 39503809) is (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2n1.
What is the InChIKey of (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is XXLGZOYGOPVHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-17-15-21(20-8-7-19(24)16-22(20)25-17)23(28)27-13-11-26(12-14-27)10-9-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3.
What are the key properties of (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 377.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 39503809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).