1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one

C19H17F3NOP — CID 177030400

IUPAC1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one
SMILESCc1cccc(Cc2c(C(F)(F)F)c3ccccc3n(C)c2=O)c1P
InChIInChI=1S/C19H17F3NOP/c1-11-6-5-7-12(17(11)25)10-14-16(19(20,21)22)13-8-3-4-9-15(13)23(2)18(14)24/h3-9H,10,25H2,1-2H3
InChIKeyZWWNTINEUJWVHE-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.96
Rot. Bonds2

About 1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one

1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one (PubChem CID 177030400) has the molecular formula C19H17F3NOP and a molecular weight of 363.32 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one
PubChem CID177030400
Molecular FormulaC19H17F3NOP
Molecular Weight363.32 g/mol
Exact Mass363.10
IUPAC Name1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one
SMILESCc1cccc(Cc2c(C(F)(F)F)c3ccccc3n(C)c2=O)c1P
InChIInChI=1S/C19H17F3NOP/c1-11-6-5-7-12(17(11)25)10-14-16(19(20,21)22)13-8-3-4-9-15(13)23(2)18(14)24/h3-9H,10,25H2,1-2H3
InChIKeyZWWNTINEUJWVHE-UHFFFAOYSA-N
XLogP3.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane
CID 170588454
3-[(2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-carbaldehyde;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 177030714
methyl 2-(2,2-dimethylpropanoylamino)acetate;1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one
CID 170587752
1-ethyl-9-methylcarbazole
CID 21455608
methyl 2-(1,4-dimethyl-2-oxoquinolin-3-yl)acetate
CID 13405582
1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 59284015
6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one
CID 170588709
6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 170587653
4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one
CID 54696598
(2S)-2-[[2,6-difluoro-3-(3-methyl-2-pyridinyl)benzoyl]amino]-3-[5-[1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]naphthalen-1-yl]propanoic acid
CID 170587532
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one (CID 177030400) is 1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one is Cc1cccc(Cc2c(C(F)(F)F)c3ccccc3n(C)c2=O)c1P.
What is the InChIKey of 1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is ZWWNTINEUJWVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3NOP/c1-11-6-5-7-12(17(11)25)10-14-16(19(20,21)22)13-8-3-4-9-15(13)23(2)18(14)24/h3-9H,10,25H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one?
1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 363.32 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 177030400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).