4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide

C18H18N2O3S — CID 7526335

IUPAC4-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C4C(=C2)CCN4C(=O)CC3
InChIInChI=1S/C18H18N2O3S/c1-12-2-5-16(6-3-12)24(22,23)19-15-10-13-4-7-17(21)20-9-8-14(11-15)18(13)20/h2-3,5-6,10-11,19H,4,7-9H2,1H3
InChIKeySNILKZLRJDTYOP-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.50
Rot. Bonds3

About 4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide

4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide (PubChem CID 7526335) has the molecular formula C18H18N2O3S and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
PubChem CID7526335
Molecular FormulaC18H18N2O3S
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name4-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C4C(=C2)CCN4C(=O)CC3
InChIInChI=1S/C18H18N2O3S/c1-12-2-5-16(6-3-12)24(22,23)19-15-10-13-4-7-17(21)20-9-8-14(11-15)18(13)20/h2-3,5-6,10-11,19H,4,7-9H2,1H3
InChIKeySNILKZLRJDTYOP-UHFFFAOYSA-N
XLogP2.50
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity592

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide with MolForge

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Related Compounds

N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)benzenesulfonamide
CID 6611008
N-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}acetamide
CID 7526291
Quinabactin
CID 16927350
4-chloro-N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7161332
3-methyl-N-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}butanamide
CID 7526281
N-butyl-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7526368
11-oxo-N-phenyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526462
N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)ethanesulfonamide
CID 7527006
4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
CID 16823207
N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide
CID 1069056
1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 35972429
6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide
CID 44634848

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide (CID 7526335) is 4-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide is CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C4C(=C2)CCN4C(=O)CC3.
What is the InChIKey of 4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide?
The InChIKey is SNILKZLRJDTYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-2-5-16(6-3-12)24(22,23)19-15-10-13-4-7-17(21)20-9-8-14(11-15)18(13)20/h2-3,5-6,10-11,19H,4,7-9H2,1H3.
What are the key properties of 4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide?
4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide has a molecular weight of 342.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 7526335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).