4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one

C16H14BrFN2O — CID 107598216

IUPAC4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(Nc2c(F)cccc2Br)c2ccccc21
InChIInChI=1S/C16H14BrFN2O/c1-20-14-8-3-2-5-10(14)13(9-15(20)21)19-16-11(17)6-4-7-12(16)18/h2-8,13,19H,9H2,1H3
InChIKeyHRPRARCWDPEIAW-UHFFFAOYSA-N
MW349.20 g/mol
LogP4.11
Rot. Bonds2

About 4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one

4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 107598216) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is 4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID107598216
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(Nc2c(F)cccc2Br)c2ccccc21
InChIInChI=1S/C16H14BrFN2O/c1-20-14-8-3-2-5-10(14)13(9-15(20)21)19-16-11(17)6-4-7-12(16)18/h2-8,13,19H,9H2,1H3
InChIKeyHRPRARCWDPEIAW-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 43763715
4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
CID 107527411
4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 82706106
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107598669
1-methyl-4-[(5-methyl-3-pyridinyl)amino]-3,4-dihydroquinolin-2-one
CID 103932260
1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one
CID 43756603
4-(2-hydroxypropylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43776299
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008
4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43775263
4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115715625
1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
CID 103903270
1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 63981224

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one (CID 107598216) is 4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(Nc2c(F)cccc2Br)c2ccccc21.
What is the InChIKey of 4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is HRPRARCWDPEIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c1-20-14-8-3-2-5-10(14)13(9-15(20)21)19-16-11(17)6-4-7-12(16)18/h2-8,13,19H,9H2,1H3.
What are the key properties of 4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one?
4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 349.20 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 107598216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).