7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C15H17F3N2O — CID 22279020

IUPAC7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCC(C)(C)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C15H17F3N2O/c1-4-14(2,3)20-9-5-6-10-11(15(16,17)18)8-13(21)19-12(10)7-9/h5-8,20H,4H2,1-3H3,(H,19,21)
InChIKeyRHOGPSSOKUGEQO-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.15
Rot. Bonds3

About 7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279020) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279020
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCC(C)(C)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C15H17F3N2O/c1-4-14(2,3)20-9-5-6-10-11(15(16,17)18)8-13(21)19-12(10)7-9/h5-8,20H,4H2,1-3H3,(H,19,21)
InChIKeyRHOGPSSOKUGEQO-UHFFFAOYSA-N
XLogP4.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Lgd 2226
CID 11560224
4-Methylquinolin-2-ol
CID 69088
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
6-Methylquinolin-2(1H)-one
CID 12237458
N-[4-(trifluoromethyl)phenyl]acetamide
CID 67685
Acetamide, N-(4-butylphenyl)-
CID 77227
N-(3-amino-4-methylphenyl)acetamide
CID 22865
LG-121071
CID 9839132
6-[Bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9820051
6-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9884851
6-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9927792
6-[Bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-dihydroquinolin-2-one
CID 22279296

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279020) is 7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CCC(C)(C)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1.
What is the InChIKey of 7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is RHOGPSSOKUGEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-4-14(2,3)20-9-5-6-10-11(15(16,17)18)8-13(21)19-12(10)7-9/h5-8,20H,4H2,1-3H3,(H,19,21).
What are the key properties of 7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 298.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylbutan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).