6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C14H15F3N2O — CID 22279277

IUPAC6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCCNc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1C
InChIInChI=1S/C14H15F3N2O/c1-3-4-18-11-7-12-9(5-8(11)2)10(14(15,16)17)6-13(20)19-12/h5-7,18H,3-4H2,1-2H3,(H,19,20)
InChIKeyXLXZGQVKUMULTF-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.68
Rot. Bonds3

About 6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279277) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279277
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCCNc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1C
InChIInChI=1S/C14H15F3N2O/c1-3-4-18-11-7-12-9(5-8(11)2)10(14(15,16)17)6-13(20)19-12/h5-7,18H,3-4H2,1-2H3,(H,19,20)
InChIKeyXLXZGQVKUMULTF-UHFFFAOYSA-N
XLogP3.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Lgd 2226
CID 11560224
Mefluidide
CID 40896
6-Methylquinolin-2(1H)-one
CID 12237458
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
Mefluidide-potassium
CID 76957315
2-Acetylamino-4-aminotoluene
CID 79492
7-Amino-4-methyl-2-quinolinone
CID 88277

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279277) is 6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CCCNc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1C.
What is the InChIKey of 6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is XLXZGQVKUMULTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-3-4-18-11-7-12-9(5-8(11)2)10(14(15,16)17)6-13(20)19-12/h5-7,18H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 284.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(propylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).