tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate

C23H30FN3O5 — CID 68554365

IUPACtert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate
SMILESCOC(=O)C(CN1CCN(C(=O)OC(C)(C)C)CC1)c1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C23H30FN3O5/c1-23(2,3)32-22(29)27-12-10-26(11-13-27)14-16(21(28)31-5)19-17(24)8-6-15-7-9-18(30-4)25-20(15)19/h6-9,16H,10-14H2,1-5H3
InChIKeyDFRKXJUODLBVIP-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.19
Rot. Bonds5

About tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate

tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate (PubChem CID 68554365) has the molecular formula C23H30FN3O5 and a molecular weight of 447.51 g/mol. Its IUPAC name is tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate
PubChem CID68554365
Molecular FormulaC23H30FN3O5
Molecular Weight447.51 g/mol
Exact Mass447.22
IUPAC Nametert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate
SMILESCOC(=O)C(CN1CCN(C(=O)OC(C)(C)C)CC1)c1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C23H30FN3O5/c1-23(2,3)32-22(29)27-12-10-26(11-13-27)14-16(21(28)31-5)19-17(24)8-6-15-7-9-18(30-4)25-20(15)19/h6-9,16H,10-14H2,1-5H3
InChIKeyDFRKXJUODLBVIP-UHFFFAOYSA-N
XLogP3.19
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate
CID 66971140
tert-butyl 4-[(2S)-3-methoxy-2-methyl-3-oxopropyl]piperazine-1-carboxylate
CID 25418682
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 53350324
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
tert-butyl 4-(2,4-difluoro-3-methoxyphenyl)piperazine-1-carboxylate
CID 176811217
tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate
CID 82276947
tert-butyl 4-[(4-chloro-2-fluorophenyl)methyl]piperazine-1-carboxylate
CID 138608922
tert-butyl 4-(2-fluoro-5-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 164879195
tert-butyl 4-(2,2-difluoro-3-methoxypropyl)piperazine-1-carboxylate
CID 66696088
tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43251933
tert-butyl 4-[2-(3-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 56771184

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate (CID 68554365) is tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate is COC(=O)C(CN1CCN(C(=O)OC(C)(C)C)CC1)c1c(F)ccc2ccc(OC)nc12.
What is the InChIKey of tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate?
The InChIKey is DFRKXJUODLBVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O5/c1-23(2,3)32-22(29)27-12-10-26(11-13-27)14-16(21(28)31-5)19-17(24)8-6-15-7-9-18(30-4)25-20(15)19/h6-9,16H,10-14H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate has a molecular weight of 447.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate is sourced from PubChem (CID 68554365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).