4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one

C16H14ClFN2O — CID 107527411

IUPAC4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(Nc2cc(F)ccc2Cl)c2ccccc21
InChIInChI=1S/C16H14ClFN2O/c1-20-15-5-3-2-4-11(15)13(9-16(20)21)19-14-8-10(18)6-7-12(14)17/h2-8,13,19H,9H2,1H3
InChIKeyDGXQZJYTAKTJID-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.00
Rot. Bonds2

About 4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one

4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 107527411) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID107527411
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(Nc2cc(F)ccc2Cl)c2ccccc21
InChIInChI=1S/C16H14ClFN2O/c1-20-15-5-3-2-4-11(15)13(9-16(20)21)19-14-8-10(18)6-7-12(14)17/h2-8,13,19H,9H2,1H3
InChIKeyDGXQZJYTAKTJID-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.00
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
6-fluoro-1-methyl-4-(methylamino)-3,4-dihydroquinolin-2-one
CID 84621050
4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
CID 107598216
4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 82706106
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
CID 107528066
1-methyl-4-[(5-methyl-3-pyridinyl)amino]-3,4-dihydroquinolin-2-one
CID 103932260
N-(2-chloro-5-fluorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 107527703
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
1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one
CID 80716475
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107527044
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one (CID 107527411) is 4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(Nc2cc(F)ccc2Cl)c2ccccc21.
What is the InChIKey of 4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is DGXQZJYTAKTJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-20-15-5-3-2-4-11(15)13(9-16(20)21)19-14-8-10(18)6-7-12(14)17/h2-8,13,19H,9H2,1H3.
What are the key properties of 4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one?
4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 304.75 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 107527411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).