6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C14H13BrN2OS — CID 43737971

IUPAC6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3ccc(Br)s3)ccc2N1
InChIInChI=1S/C14H13BrN2OS/c15-13-5-3-11(19-13)8-16-10-2-4-12-9(7-10)1-6-14(18)17-12/h2-5,7,16H,1,6,8H2,(H,17,18)
InChIKeyMLCGYVVFNHYBEB-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.01
Rot. Bonds3

About 6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43737971) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43737971
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3ccc(Br)s3)ccc2N1
InChIInChI=1S/C14H13BrN2OS/c15-13-5-3-11(19-13)8-16-10-2-4-12-9(7-10)1-6-14(18)17-12/h2-5,7,16H,1,6,8H2,(H,17,18)
InChIKeyMLCGYVVFNHYBEB-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5-bromothiophen-2-yl)methylamino]-4H-1,4-benzothiazin-3-one
CID 43723153
6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 115743080
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114829
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737966
6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 114841931
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115205137
6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104749401
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 115119383

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43737971) is 6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NCc3ccc(Br)s3)ccc2N1.
What is the InChIKey of 6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MLCGYVVFNHYBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-13-5-3-11(19-13)8-16-10-2-4-12-9(7-10)1-6-14(18)17-12/h2-5,7,16H,1,6,8H2,(H,17,18).
What are the key properties of 6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 337.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43737971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).