tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate

C20H22N2O4 — CID 102304585

IUPACtert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H22N2O4/c1-20(2,3)26-19(24)22-17(12-23)14-11-16(18-9-6-10-25-18)21-15-8-5-4-7-13(14)15/h4-11,17,23H,12H2,1-3H3,(H,22,24)/t17-/m0/s1
InChIKeyNAPLCIUHADWZBI-KRWDZBQOSA-N
MW354.41 g/mol
LogP4.05
Rot. Bonds4

About tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate

tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate (PubChem CID 102304585) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate
PubChem CID102304585
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nametert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H22N2O4/c1-20(2,3)26-19(24)22-17(12-23)14-11-16(18-9-6-10-25-18)21-15-8-5-4-7-13(14)15/h4-11,17,23H,12H2,1-3H3,(H,22,24)/t17-/m0/s1
InChIKeyNAPLCIUHADWZBI-KRWDZBQOSA-N
XLogP4.05
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
tert-butyl N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]carbamate
CID 86328737
tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate
CID 151826390
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488
N-[2-(tert-butylamino)-2-oxoethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 26456849
tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 165085489

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate (CID 102304585) is tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate?
The InChIKey is NAPLCIUHADWZBI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-20(2,3)26-19(24)22-17(12-23)14-11-16(18-9-6-10-25-18)21-15-8-5-4-7-13(14)15/h4-11,17,23H,12H2,1-3H3,(H,22,24)/t17-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate?
tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate has a molecular weight of 354.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 102304585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).