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

C16H14BrClN2O — CID 115743080

IUPAC6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3ccc(Br)cc3Cl)ccc2N1
InChIInChI=1S/C16H14BrClN2O/c17-12-3-1-11(14(18)8-12)9-19-13-4-5-15-10(7-13)2-6-16(21)20-15/h1,3-5,7-8,19H,2,6,9H2,(H,20,21)
InChIKeyMYXGFTPWAQUCGP-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.60
Rot. Bonds3

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

6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115743080) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115743080
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3ccc(Br)cc3Cl)ccc2N1
InChIInChI=1S/C16H14BrClN2O/c17-12-3-1-11(14(18)8-12)9-19-13-4-5-15-10(7-13)2-6-16(21)20-15/h1,3-5,7-8,19H,2,6,9H2,(H,20,21)
InChIKeyMYXGFTPWAQUCGP-UHFFFAOYSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 114841931
6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737966
6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737971
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
CID 107699880
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104749401
1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110774999
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 115743080) is 6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NCc3ccc(Br)cc3Cl)ccc2N1.
What is the InChIKey of 6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MYXGFTPWAQUCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-12-3-1-11(14(18)8-12)9-19-13-4-5-15-10(7-13)2-6-16(21)20-15/h1,3-5,7-8,19H,2,6,9H2,(H,20,21).
What are the key properties of 6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 365.66 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115743080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).