6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one

C14H18BrN3O3S — CID 119963511

IUPAC6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Br)c(S(=O)(=O)N3CCCNCC3)cc2N1
InChIInChI=1S/C14H18BrN3O3S/c15-11-8-10-2-3-14(19)17-12(10)9-13(11)22(20,21)18-6-1-4-16-5-7-18/h8-9,16H,1-7H2,(H,17,19)
InChIKeyPVDYCGHQLSCFCQ-UHFFFAOYSA-N
MW388.29 g/mol
LogP1.32
Rot. Bonds2

About 6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one

6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 119963511) has the molecular formula C14H18BrN3O3S and a molecular weight of 388.29 g/mol. Its IUPAC name is 6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID119963511
Molecular FormulaC14H18BrN3O3S
Molecular Weight388.29 g/mol
Exact Mass387.03
IUPAC Name6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Br)c(S(=O)(=O)N3CCCNCC3)cc2N1
InChIInChI=1S/C14H18BrN3O3S/c15-11-8-10-2-3-14(19)17-12(10)9-13(11)22(20,21)18-6-1-4-16-5-7-18/h8-9,16H,1-7H2,(H,17,19)
InChIKeyPVDYCGHQLSCFCQ-UHFFFAOYSA-N
XLogP1.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-7-piperazin-1-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119961805
6-bromo-7-[(3S)-3-methylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 124695223
6-bromo-7-(3-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119982184
6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 86962368
6-bromo-7-piperazin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one;hydrochloride
CID 119961825
1-(2-bromophenyl)sulfonyl-1,4-diazepane
CID 28973443
7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 115824459
6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95475622
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963191
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide
CID 120665078
7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13369863

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one (CID 119963511) is 6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Br)c(S(=O)(=O)N3CCCNCC3)cc2N1.
What is the InChIKey of 6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PVDYCGHQLSCFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3S/c15-11-8-10-2-3-14(19)17-12(10)9-13(11)22(20,21)18-6-1-4-16-5-7-18/h8-9,16H,1-7H2,(H,17,19).
What are the key properties of 6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one?
6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 388.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 119963511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).