6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one

C17H13ClF3N3O2 — CID 118955448

IUPAC6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
SMILESCn1c(C(F)(F)F)ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O
InChIInChI=1S/C17H13ClF3N3O2/c1-24-14(17(19,20)21)5-4-13(16(24)26)22-8-10-6-9-7-11(18)2-3-12(9)23-15(10)25/h2-7,22H,8H2,1H3,(H,23,25)
InChIKeyGAGJFBRIVDHXBX-UHFFFAOYSA-N
MW383.76 g/mol
LogP3.51
Rot. Bonds3

About 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 118955448) has the molecular formula C17H13ClF3N3O2 and a molecular weight of 383.76 g/mol. Its IUPAC name is 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
PubChem CID118955448
Molecular FormulaC17H13ClF3N3O2
Molecular Weight383.76 g/mol
Exact Mass383.06
IUPAC Name6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
SMILESCn1c(C(F)(F)F)ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O
InChIInChI=1S/C17H13ClF3N3O2/c1-24-14(17(19,20)21)5-4-13(16(24)26)22-8-10-6-9-7-11(18)2-3-12(9)23-15(10)25/h2-7,22H,8H2,1H3,(H,23,25)
InChIKeyGAGJFBRIVDHXBX-UHFFFAOYSA-N
XLogP3.51
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 146240316
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 122637378
6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
CID 122637449
6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637084
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637348
6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
CID 170632349
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 25319089

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one (CID 118955448) is 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one is Cn1c(C(F)(F)F)ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O.
What is the InChIKey of 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is GAGJFBRIVDHXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2/c1-24-14(17(19,20)21)5-4-13(16(24)26)22-8-10-6-9-7-11(18)2-3-12(9)23-15(10)25/h2-7,22H,8H2,1H3,(H,23,25).
What are the key properties of 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 383.76 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 118955448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).