ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate

C24H24FN3O3 — CID 42749933

IUPACethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3F)nc3ccc(C)cc23)CC1
InChIInChI=1S/C24H24FN3O3/c1-3-31-24(30)28-12-10-27(11-13-28)23(29)19-15-22(17-6-4-5-7-20(17)25)26-21-9-8-16(2)14-18(19)21/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyXYKUGKWRXXDODY-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.26
Rot. Bonds3

About ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate (PubChem CID 42749933) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate
PubChem CID42749933
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Nameethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3F)nc3ccc(C)cc23)CC1
InChIInChI=1S/C24H24FN3O3/c1-3-31-24(30)28-12-10-27(11-13-28)23(29)19-15-22(17-6-4-5-7-20(17)25)26-21-9-8-16(2)14-18(19)21/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyXYKUGKWRXXDODY-UHFFFAOYSA-N
XLogP4.26
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chlorophenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42749654
2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749910
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 42749913
(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 17126635
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
ethyl 4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazine-1-carboxylate
CID 36759625
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate (CID 42749933) is ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3F)nc3ccc(C)cc23)CC1.
What is the InChIKey of ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is XYKUGKWRXXDODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-3-31-24(30)28-12-10-27(11-13-28)23(29)19-15-22(17-6-4-5-7-20(17)25)26-21-9-8-16(2)14-18(19)21/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 421.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 42749933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).