6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide

C14H20BrN3O3S — CID 120665078

IUPAC6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2
InChIInChI=1S/C14H20BrN3O3S/c1-3-16-9(2)8-17-22(20,21)13-7-12-10(6-11(13)15)4-5-14(19)18-12/h6-7,9,16-17H,3-5,8H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyBWLQUSNHRXVNGJ-SECBINFHSA-N
MW390.30 g/mol
LogP1.61
Rot. Bonds6

About 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide

6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide (PubChem CID 120665078) has the molecular formula C14H20BrN3O3S and a molecular weight of 390.30 g/mol. Its IUPAC name is 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide
PubChem CID120665078
Molecular FormulaC14H20BrN3O3S
Molecular Weight390.30 g/mol
Exact Mass389.04
IUPAC Name6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2
InChIInChI=1S/C14H20BrN3O3S/c1-3-16-9(2)8-17-22(20,21)13-7-12-10(6-11(13)15)4-5-14(19)18-12/h6-7,9,16-17H,3-5,8H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyBWLQUSNHRXVNGJ-SECBINFHSA-N
XLogP1.61
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide with MolForge

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 120664921
6-bromo-N-[2-(methylamino)propyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide;hydrochloride
CID 120824627
6-bromo-7-piperazin-1-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119961805
6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225473
6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225601
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143
3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide
CID 120713919
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 119963511
6-bromo-7-ethoxy-3,4-dihydro-1H-quinolin-2-one
CID 66560026
7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 115824459

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide?
The IUPAC name of 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide (CID 120665078) is 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide.
What is the SMILES notation for 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide?
The canonical SMILES for 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide is CCN[C@H](C)CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2.
What is the InChIKey of 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide?
The InChIKey is BWLQUSNHRXVNGJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H20BrN3O3S/c1-3-16-9(2)8-17-22(20,21)13-7-12-10(6-11(13)15)4-5-14(19)18-12/h6-7,9,16-17H,3-5,8H2,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide?
6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide has a molecular weight of 390.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide is sourced from PubChem (CID 120665078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).