[(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate

C19H17FN2O3 — CID 175131853

IUPAC[(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate
SMILESC[C@H](OC(N)=O)c1nc2ccc(F)cc2cc1OCc1ccccc1
InChIInChI=1S/C19H17FN2O3/c1-12(25-19(21)23)18-17(24-11-13-5-3-2-4-6-13)10-14-9-15(20)7-8-16(14)22-18/h2-10,12H,11H2,1H3,(H2,21,23)/t12-/m0/s1
InChIKeyRZSLQFBZSSTXEE-LBPRGKRZSA-N
MW340.35 g/mol
LogP4.11
Rot. Bonds5

About [(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate

[(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate (PubChem CID 175131853) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is [(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate
PubChem CID175131853
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name[(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate
SMILESC[C@H](OC(N)=O)c1nc2ccc(F)cc2cc1OCc1ccccc1
InChIInChI=1S/C19H17FN2O3/c1-12(25-19(21)23)18-17(24-11-13-5-3-2-4-6-13)10-14-9-15(20)7-8-16(14)22-18/h2-10,12H,11H2,1H3,(H2,21,23)/t12-/m0/s1
InChIKeyRZSLQFBZSSTXEE-LBPRGKRZSA-N
XLogP4.11
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone
CID 22446096
[(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate
CID 174981323
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
[(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate
CID 175183675
3-O-benzyl 1-O-(6-fluoroindol-1-yl) (2S)-2-propan-2-ylpropanedioate
CID 54310611
2-ethyl-2-(2-phenylmethoxyphenyl)butanamide
CID 66688579
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
CID 172649387
6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid
CID 19692180
(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol
CID 138485730

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate?
The IUPAC name of [(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate (CID 175131853) is [(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate.
What is the SMILES notation for [(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate?
The canonical SMILES for [(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate is C[C@H](OC(N)=O)c1nc2ccc(F)cc2cc1OCc1ccccc1.
What is the InChIKey of [(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate?
The InChIKey is RZSLQFBZSSTXEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-12(25-19(21)23)18-17(24-11-13-5-3-2-4-6-13)10-14-9-15(20)7-8-16(14)22-18/h2-10,12H,11H2,1H3,(H2,21,23)/t12-/m0/s1.
What are the key properties of [(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate?
[(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate has a molecular weight of 340.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(6-fluoro-3-phenylmethoxyquinolin-2-yl)ethyl] carbamate is sourced from PubChem (CID 175131853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).