2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one

C19H18F2N2O2 — CID 154975398

IUPAC2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(NCc3cccc(C(C)(F)F)c3)cc(=O)c2c1
InChIInChI=1S/C19H18F2N2O2/c1-19(20,21)13-5-3-4-12(8-13)11-22-18-10-17(24)15-9-14(25-2)6-7-16(15)23-18/h3-10H,11H2,1-2H3,(H2,22,23,24)
InChIKeyLRIOEJFSETYBJW-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.26
Rot. Bonds5

About 2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one

2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one (PubChem CID 154975398) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one
PubChem CID154975398
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(NCc3cccc(C(C)(F)F)c3)cc(=O)c2c1
InChIInChI=1S/C19H18F2N2O2/c1-19(20,21)13-5-3-4-12(8-13)11-22-18-10-17(24)15-9-14(25-2)6-7-16(15)23-18/h3-10H,11H2,1-2H3,(H2,22,23,24)
InChIKeyLRIOEJFSETYBJW-UHFFFAOYSA-N
XLogP4.26
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione
CID 146334414
2-[chloro(difluoro)methyl]-6-methoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 949523
2-[(3-methoxyphenyl)methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741360
3-[(4-methoxyphenyl)methylamino]-2H-isoquinolin-1-one
CID 16727391
3,4-dichloro-6-methoxy-1H-quinolin-2-one
CID 110272519
N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
CID 116992438
2-(6-methoxy-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174598
1-[(3-methoxyphenyl)methyl]-3-[2-[3-[2-[(3-methoxyphenyl)methylcarbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27060588
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504407
4-methoxy-2-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 31068808
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one?
The IUPAC name of 2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one (CID 154975398) is 2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one?
The canonical SMILES for 2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one is COc1ccc2[nH]c(NCc3cccc(C(C)(F)F)c3)cc(=O)c2c1.
What is the InChIKey of 2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one?
The InChIKey is LRIOEJFSETYBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-19(20,21)13-5-3-4-12(8-13)11-22-18-10-17(24)15-9-14(25-2)6-7-16(15)23-18/h3-10H,11H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one?
2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one has a molecular weight of 344.36 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,1-difluoroethyl)phenyl]methylamino]-6-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 154975398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).