tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate

C23H25FN2O3 — CID 67510865

IUPACtert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc2ccc(F)cc2c(CO)c1-c1ccccc1
InChIInChI=1S/C23H25FN2O3/c1-23(2,3)29-22(28)25-12-11-20-21(15-7-5-4-6-8-15)18(14-27)17-13-16(24)9-10-19(17)26-20/h4-10,13,27H,11-12,14H2,1-3H3,(H,25,28)
InChIKeyGBLPQHDWSZBMFN-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.60
Rot. Bonds5

About tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate

tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate (PubChem CID 67510865) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate
PubChem CID67510865
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Nametert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc2ccc(F)cc2c(CO)c1-c1ccccc1
InChIInChI=1S/C23H25FN2O3/c1-23(2,3)29-22(28)25-12-11-20-21(15-7-5-4-6-8-15)18(14-27)17-13-16(24)9-10-19(17)26-20/h4-10,13,27H,11-12,14H2,1-3H3,(H,25,28)
InChIKeyGBLPQHDWSZBMFN-UHFFFAOYSA-N
XLogP4.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]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

1-[6-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-phenylquinolin-4-yl]ethanesulfinic acid
CID 67511570
tert-butyl N-[2-[3-(3,5-difluorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90238280
tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate
CID 69031799
tert-butyl N-[1-[4-[cyclopropyl(methyl)carbamoyl]-6-fluoro-3-phenylquinolin-2-yl]ethyl]carbamate
CID 68782951
tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate
CID 117274813
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate
CID 151221756
[4-(4-fluorophenyl)-2-propylquinolin-3-yl]methanol
CID 15125323
tert-butyl N-[4-(cyclopropylmethylcarbamoyl)-6-fluoro-3-phenylquinolin-2-yl]-N-ethylcarbamate
CID 67510888
tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate
CID 123697961
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]quinoline-2-carboxylic acid
CID 157399195

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate (CID 67510865) is tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nc2ccc(F)cc2c(CO)c1-c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate?
The InChIKey is GBLPQHDWSZBMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-23(2,3)29-22(28)25-12-11-20-21(15-7-5-4-6-8-15)18(14-27)17-13-16(24)9-10-19(17)26-20/h4-10,13,27H,11-12,14H2,1-3H3,(H,25,28).
What are the key properties of tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate?
tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate has a molecular weight of 396.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate is sourced from PubChem (CID 67510865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).