methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate

C24H32FN3O5 — CID 68529498

IUPACmethyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
SMILESCOC(=O)C(CN1CCC(NC(=O)OC(C)(C)C)CC1)c1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C24H32FN3O5/c1-24(2,3)33-23(30)26-16-10-12-28(13-11-16)14-17(22(29)32-5)20-18(25)8-6-15-7-9-19(31-4)27-21(15)20/h6-9,16-17H,10-14H2,1-5H3,(H,26,30)
InChIKeyIGPDMSANUXKKBE-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.63
Rot. Bonds6

About methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate

methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate (PubChem CID 68529498) has the molecular formula C24H32FN3O5 and a molecular weight of 461.53 g/mol. Its IUPAC name is methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
PubChem CID68529498
Molecular FormulaC24H32FN3O5
Molecular Weight461.53 g/mol
Exact Mass461.23
IUPAC Namemethyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
SMILESCOC(=O)C(CN1CCC(NC(=O)OC(C)(C)C)CC1)c1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C24H32FN3O5/c1-24(2,3)33-23(30)26-16-10-12-28(13-11-16)14-17(22(29)32-5)20-18(25)8-6-15-7-9-19(31-4)27-21(15)20/h6-9,16-17H,10-14H2,1-5H3,(H,26,30)
InChIKeyIGPDMSANUXKKBE-UHFFFAOYSA-N
XLogP3.63
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate 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
methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate
CID 68529583
methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[(3S)-3-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidin-1-yl]propanoate
CID 87486921
2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 158814860
tert-butyl N-[(4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxypropyl]-4-hydroxypiperidin-3-yl]carbamate
CID 70883923
tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 56771223
tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate
CID 66746573
[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid
CID 68531406
8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine;bis(tert-butyl N-[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]carbamate);tert-butyl N-piperidin-4-ylcarbamate;1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-amine
CID 158837249
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
CID 22182435
tert-butyl N-[1-[(4-fluoro-3-iodophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 176507965

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
The IUPAC name of methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate (CID 68529498) is methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
The canonical SMILES for methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate is COC(=O)C(CN1CCC(NC(=O)OC(C)(C)C)CC1)c1c(F)ccc2ccc(OC)nc12.
What is the InChIKey of methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
The InChIKey is IGPDMSANUXKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O5/c1-24(2,3)33-23(30)26-16-10-12-28(13-11-16)14-17(22(29)32-5)20-18(25)8-6-15-7-9-19(31-4)27-21(15)20/h6-9,16-17H,10-14H2,1-5H3,(H,26,30).
What are the key properties of methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate has a molecular weight of 461.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate is sourced from PubChem (CID 68529498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).