[(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea

C18H18FN3O2 — CID 178034082

IUPAC[(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](NC(N)=O)Cc2cc(F)ccc21
InChIInChI=1S/C18H18FN3O2/c1-11(12-5-3-2-4-6-12)22-16-8-7-14(19)9-13(16)10-15(17(22)23)21-18(20)24/h2-9,11,15H,10H2,1H3,(H3,20,21,24)/t11-,15+/m0/s1
InChIKeyHPUMYTRRRDLULW-XHDPSFHLSA-N
MW327.36 g/mol
LogP2.51
Rot. Bonds3

About [(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea

[(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea (PubChem CID 178034082) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is [(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
PubChem CID178034082
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name[(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](NC(N)=O)Cc2cc(F)ccc21
InChIInChI=1S/C18H18FN3O2/c1-11(12-5-3-2-4-6-12)22-16-8-7-14(19)9-13(16)10-15(17(22)23)21-18(20)24/h2-9,11,15H,10H2,1H3,(H3,20,21,24)/t11-,15+/m0/s1
InChIKeyHPUMYTRRRDLULW-XHDPSFHLSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034142
[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea
CID 178034557
[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034334
tert-butyl N-[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethoxy)-3,4-dihydroquinolin-3-yl]carbamate
CID 178034326
tert-butyl N-[(3R)-7-cyano-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034140
tert-butyl N-[(3R)-2-oxo-1-[(1S)-1-(3-phenoxyphenyl)ethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034272
tert-butyl N-[(3R)-7-nitro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034199
[(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702569
[(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate
CID 178034093
(3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034289
1-[4-[2-[3-(carbamoylamino)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-1-yl]ethyl]phenyl]-1-[(3R)-8-methoxy-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034440
3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 134961753

Frequently Asked Questions

What is the IUPAC name of [(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea?
The IUPAC name of [(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea (CID 178034082) is [(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea.
What is the SMILES notation for [(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea?
The canonical SMILES for [(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea is C[C@@H](c1ccccc1)N1C(=O)[C@H](NC(N)=O)Cc2cc(F)ccc21.
What is the InChIKey of [(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea?
The InChIKey is HPUMYTRRRDLULW-XHDPSFHLSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11(12-5-3-2-4-6-12)22-16-8-7-14(19)9-13(16)10-15(17(22)23)21-18(20)24/h2-9,11,15H,10H2,1H3,(H3,20,21,24)/t11-,15+/m0/s1.
What are the key properties of [(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea?
[(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea has a molecular weight of 327.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea is sourced from PubChem (CID 178034082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).