benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate

C20H20N2O4 — CID 171856136

IUPACbenzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate
SMILESO=C(NCC(O)C(O)c1cnc2ccccc2c1)OCc1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18(12-22-20(25)26-13-14-6-2-1-3-7-14)19(24)16-10-15-8-4-5-9-17(15)21-11-16/h1-11,18-19,23-24H,12-13H2,(H,22,25)
InChIKeyGBUBFWLULCNUQA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.56
Rot. Bonds6

About benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate

benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate (PubChem CID 171856136) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate
PubChem CID171856136
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namebenzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate
SMILESO=C(NCC(O)C(O)c1cnc2ccccc2c1)OCc1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18(12-22-20(25)26-13-14-6-2-1-3-7-14)19(24)16-10-15-8-4-5-9-17(15)21-11-16/h1-11,18-19,23-24H,12-13H2,(H,22,25)
InChIKeyGBUBFWLULCNUQA-UHFFFAOYSA-N
XLogP2.56
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855731
benzyl N-(2,3-dihydroxy-3-quinolin-7-ylpropyl)carbamate
CID 171856144
benzyl N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]carbamate
CID 171856324
benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933
benzyl N-[2,3-dihydroxy-3-[4-(methylamino)phenyl]propyl]carbamate
CID 171855663
benzyl N-[3-(2-amino-5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171857015
benzyl N-[2,3-dihydroxy-3-(2-imidazol-1-ylpyrimidin-5-yl)propyl]carbamate
CID 171856672
benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate
CID 171856122
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
benzyl N-[3-[3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855447
benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate
CID 171855323
benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate?
The IUPAC name of benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate (CID 171856136) is benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate.
What is the SMILES notation for benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate?
The canonical SMILES for benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate is O=C(NCC(O)C(O)c1cnc2ccccc2c1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate?
The InChIKey is GBUBFWLULCNUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(12-22-20(25)26-13-14-6-2-1-3-7-14)19(24)16-10-15-8-4-5-9-17(15)21-11-16/h1-11,18-19,23-24H,12-13H2,(H,22,25).
What are the key properties of benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate?
benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate has a molecular weight of 352.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate is sourced from PubChem (CID 171856136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).