6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one

C19H13ClF3N5O — CID 146240316

IUPAC6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1nccc(-n2cccc2C(F)(F)F)n1
InChIInChI=1S/C19H13ClF3N5O/c20-13-3-4-14-11(9-13)8-12(17(29)26-14)10-25-18-24-6-5-16(27-18)28-7-1-2-15(28)19(21,22)23/h1-9H,10H2,(H,26,29)(H,24,25,27)
InChIKeyMCGJEZLXUUOSPC-UHFFFAOYSA-N
MW419.79 g/mol
LogP4.39
Rot. Bonds4

About 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one (PubChem CID 146240316) has the molecular formula C19H13ClF3N5O and a molecular weight of 419.79 g/mol. Its IUPAC name is 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
PubChem CID146240316
Molecular FormulaC19H13ClF3N5O
Molecular Weight419.79 g/mol
Exact Mass419.08
IUPAC Name6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1nccc(-n2cccc2C(F)(F)F)n1
InChIInChI=1S/C19H13ClF3N5O/c20-13-3-4-14-11(9-13)8-12(17(29)26-14)10-25-18-24-6-5-16(27-18)28-7-1-2-15(28)19(21,22)23/h1-9H,10H2,(H,26,29)(H,24,25,27)
InChIKeyMCGJEZLXUUOSPC-UHFFFAOYSA-N
XLogP4.39
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
CID 118955448
6-chloro-3-[[[4-[methylsulfanyl(propan-2-yl)amino]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 146240371
6-chloro-3-[(1S)-1-[[4-(2-methylpyrrol-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953919
N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide
CID 145049123
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
6-chloro-3-[[[4-[2-methylpropylsulfanyl(propan-2-yl)amino]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 145049135
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637068
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 122637378
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458
6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637348

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one (CID 146240316) is 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2cc1CNc1nccc(-n2cccc2C(F)(F)F)n1.
What is the InChIKey of 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is MCGJEZLXUUOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O/c20-13-3-4-14-11(9-13)8-12(17(29)26-14)10-25-18-24-6-5-16(27-18)28-7-1-2-15(28)19(21,22)23/h1-9H,10H2,(H,26,29)(H,24,25,27).
What are the key properties of 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 419.79 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[[4-[2-(trifluoromethyl)pyrrol-1-yl]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 146240316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).