[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea

C19H17ClF3N3O2 — CID 178034334

IUPAC[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea
SMILESC[C@H](c1cccc(C(F)(F)F)c1)N1C(=O)[C@H](NC(N)=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C19H17ClF3N3O2/c1-10(11-3-2-4-13(7-11)19(21,22)23)26-16-9-14(20)6-5-12(16)8-15(17(26)27)25-18(24)28/h2-7,9-10,15H,8H2,1H3,(H3,24,25,28)/t10-,15-/m1/s1
InChIKeyIXMDXWSPCNNCLH-MEBBXXQBSA-N
MW411.81 g/mol
LogP4.05
Rot. Bonds3

About [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea

[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea (PubChem CID 178034334) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea
PubChem CID178034334
Molecular FormulaC19H17ClF3N3O2
Molecular Weight411.81 g/mol
Exact Mass411.10
IUPAC Name[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea
SMILESC[C@H](c1cccc(C(F)(F)F)c1)N1C(=O)[C@H](NC(N)=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C19H17ClF3N3O2/c1-10(11-3-2-4-13(7-11)19(21,22)23)26-16-9-14(20)6-5-12(16)8-15(17(26)27)25-18(24)28/h2-7,9-10,15H,8H2,1H3,(H3,24,25,28)/t10-,15-/m1/s1
InChIKeyIXMDXWSPCNNCLH-MEBBXXQBSA-N
XLogP4.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.81
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea with MolForge

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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
[7-chloro-2-oxo-1-[(1S)-1-[3-[[3-(1H-pyrazol-4-yl)phenyl]methoxy]phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034390
tert-butyl N-[(3R)-8-chloro-2-oxo-1-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-3H-1-benzazepin-3-yl]carbamate
CID 178034453
[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea
CID 178034533
tert-butyl N-[(3R)-7-cyano-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034140
[7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] N-(2,2,2-trichloroacetyl)carbamate
CID 178034338
tert-butyl N-[(3R)-2-oxo-1-[(1S)-1-(3-phenoxyphenyl)ethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034272
5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134
5-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710911
6-nitro-1-[1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-2-one
CID 170748345
6-chloro-4-oxo-N-[2-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide
CID 118984630

Frequently Asked Questions

What is the IUPAC name of [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea?
The IUPAC name of [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea (CID 178034334) is [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea.
What is the SMILES notation for [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea?
The canonical SMILES for [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea is C[C@H](c1cccc(C(F)(F)F)c1)N1C(=O)[C@H](NC(N)=O)Cc2ccc(Cl)cc21.
What is the InChIKey of [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea?
The InChIKey is IXMDXWSPCNNCLH-MEBBXXQBSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c1-10(11-3-2-4-13(7-11)19(21,22)23)26-16-9-14(20)6-5-12(16)8-15(17(26)27)25-18(24)28/h2-7,9-10,15H,8H2,1H3,(H3,24,25,28)/t10-,15-/m1/s1.
What are the key properties of [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea?
[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea has a molecular weight of 411.81 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea is sourced from PubChem (CID 178034334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).