6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

C16H14BrClN2O — CID 107950188

IUPAC6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1cc(Cl)cc(Br)c1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H14BrClN2O/c17-12-6-11(7-13(18)8-12)16(19)10-1-3-14-9(5-10)2-4-15(21)20-14/h1,3,5-8,16H,2,4,19H2,(H,20,21)
InChIKeyXQJCAJGPSCSLJD-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.04
Rot. Bonds2

About 6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107950188) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID107950188
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1cc(Cl)cc(Br)c1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H14BrClN2O/c17-12-6-11(7-13(18)8-12)16(19)10-1-3-14-9(5-10)2-4-15(21)20-14/h1,3,5-8,16H,2,4,19H2,(H,20,21)
InChIKeyXQJCAJGPSCSLJD-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890
6-[amino-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43464148
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[amino-(5-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65308230
6-[amino-(4-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43629721
6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 63798074
6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 80536155
6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79685089
6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107949673
6-[amino-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79981205

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 107950188) is 6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is NC(c1cc(Cl)cc(Br)c1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XQJCAJGPSCSLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-12-6-11(7-13(18)8-12)16(19)10-1-3-14-9(5-10)2-4-15(21)20-14/h1,3,5-8,16H,2,4,19H2,(H,20,21).
What are the key properties of 6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 365.66 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107950188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).