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

C17H20F3N3O2 — CID 178034533

IUPAC[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea
SMILESNC(=O)N[C@@H]1Cc2ccc(C(F)(F)F)cc2N(CC2CCCC2)C1=O
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)12-6-5-11-7-13(22-16(21)25)15(24)23(14(11)8-12)9-10-3-1-2-4-10/h5-6,8,10,13H,1-4,7,9H2,(H3,21,22,25)/t13-/m1/s1
InChIKeyUDLSHKUVACLRBZ-CYBMUJFWSA-N
MW355.36 g/mol
LogP2.82
Rot. Bonds3

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

[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea (PubChem CID 178034533) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is [(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea
PubChem CID178034533
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea
SMILESNC(=O)N[C@@H]1Cc2ccc(C(F)(F)F)cc2N(CC2CCCC2)C1=O
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)12-6-5-11-7-13(22-16(21)25)15(24)23(14(11)8-12)9-10-3-1-2-4-10/h5-6,8,10,13H,1-4,7,9H2,(H3,21,22,25)/t13-/m1/s1
InChIKeyUDLSHKUVACLRBZ-CYBMUJFWSA-N
XLogP2.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]carbamate
CID 178034394
(3R)-3-methyl-1-[[4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 162562374
[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034334
[(3R,4aS,8aR)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,4a,5,6,7,8,8a-octahydroquinolin-3-yl]urea
CID 177164679
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
(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 178034521
1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one
CID 26986199
1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide
CID 70948771
[(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034142
tert-butyl 2-[(3S)-3-[(6S)-3,4-dimethyl-6-(methylamino)-7-oxo-5,6-dihydro-2H-azepin-1-yl]-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-1-yl]acetate
CID 167170328
1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 60585635
1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
CID 117206073

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea?
The IUPAC name of [(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea (CID 178034533) is [(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea.
What is the SMILES notation for [(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea?
The canonical SMILES for [(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea is NC(=O)N[C@@H]1Cc2ccc(C(F)(F)F)cc2N(CC2CCCC2)C1=O.
What is the InChIKey of [(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea?
The InChIKey is UDLSHKUVACLRBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c18-17(19,20)12-6-5-11-7-13(22-16(21)25)15(24)23(14(11)8-12)9-10-3-1-2-4-10/h5-6,8,10,13H,1-4,7,9H2,(H3,21,22,25)/t13-/m1/s1.
What are the key properties of [(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea?
[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea has a molecular weight of 355.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea is sourced from PubChem (CID 178034533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).