tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate

C23H32FN3O4 — CID 66971140

IUPACtert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate
SMILESCOc1ccc2ccc(F)c(C(CO)CN3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C23H32FN3O4/c1-23(2,3)31-22(29)25-17-9-11-27(12-10-17)13-16(14-28)20-18(24)7-5-15-6-8-19(30-4)26-21(15)20/h5-8,16-17,28H,9-14H2,1-4H3,(H,25,29)
InChIKeyZZPCORYIUZWVSN-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.45
Rot. Bonds6

About tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate (PubChem CID 66971140) has the molecular formula C23H32FN3O4 and a molecular weight of 433.52 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate
PubChem CID66971140
Molecular FormulaC23H32FN3O4
Molecular Weight433.52 g/mol
Exact Mass433.24
IUPAC Nametert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate
SMILESCOc1ccc2ccc(F)c(C(CO)CN3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C23H32FN3O4/c1-23(2,3)31-22(29)25-17-9-11-27(12-10-17)13-16(14-28)20-18(24)7-5-15-6-8-19(30-4)26-21(15)20/h5-8,16-17,28H,9-14H2,1-4H3,(H,25,29)
InChIKeyZZPCORYIUZWVSN-UHFFFAOYSA-N
XLogP3.45
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 68529498
[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid
CID 68531406
tert-butyl N-[(4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxypropyl]-4-hydroxypiperidin-3-yl]carbamate
CID 70883923
methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate
CID 68529583
2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 158814860
CID 159135807
CID 159135807
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
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[(3S)-3-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidin-1-yl]propanoate
CID 87486921
tert-butyl N-[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-1-ium-1-yl]carbamate
CID 91502703
tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
CID 22182435

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate (CID 66971140) is tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate is COc1ccc2ccc(F)c(C(CO)CN3CCC(NC(=O)OC(C)(C)C)CC3)c2n1.
What is the InChIKey of tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate?
The InChIKey is ZZPCORYIUZWVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4/c1-23(2,3)31-22(29)25-17-9-11-27(12-10-17)13-16(14-28)20-18(24)7-5-15-6-8-19(30-4)26-21(15)20/h5-8,16-17,28H,9-14H2,1-4H3,(H,25,29).
What are the key properties of tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate has a molecular weight of 433.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 66971140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).