6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C18H18N4O3S — CID 163947548

IUPAC6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCn1nc(-c2ccc3c(c2)CCN(S(N)(=O)=O)C3)c2ccccc2c1=O
InChIInChI=1S/C18H18N4O3S/c1-21-18(23)16-5-3-2-4-15(16)17(20-21)13-6-7-14-11-22(26(19,24)25)9-8-12(14)10-13/h2-7,10H,8-9,11H2,1H3,(H2,19,24,25)
InChIKeyRWLPGRWCSCZLRB-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.16
Rot. Bonds2

About 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 163947548) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID163947548
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCn1nc(-c2ccc3c(c2)CCN(S(N)(=O)=O)C3)c2ccccc2c1=O
InChIInChI=1S/C18H18N4O3S/c1-21-18(23)16-5-3-2-4-15(16)17(20-21)13-6-7-14-11-22(26(19,24)25)9-8-12(14)10-13/h2-7,10H,8-9,11H2,1H3,(H2,19,24,25)
InChIKeyRWLPGRWCSCZLRB-UHFFFAOYSA-N
XLogP1.16
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
CID 1080067
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-one
CID 1301285
6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 155202858
6-(3-methyl-4-oxophthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472754
N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide
CID 157040140
2-methyl-4-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]phthalazin-1-one
CID 663051
6-(4-oxo-1H-phthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 169491426
2-methyl-4-(4-nitrophenyl)phthalazin-1-one
CID 19957132
7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 162521919
2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 2937094
2-methyl-4-pyridin-3-ylphthalazin-1-one
CID 10060065
2-methyl-4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1-one
CID 2946311

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 163947548) is 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide is Cn1nc(-c2ccc3c(c2)CCN(S(N)(=O)=O)C3)c2ccccc2c1=O.
What is the InChIKey of 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is RWLPGRWCSCZLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-21-18(23)16-5-3-2-4-15(16)17(20-21)13-6-7-14-11-22(26(19,24)25)9-8-12(14)10-13/h2-7,10H,8-9,11H2,1H3,(H2,19,24,25).
What are the key properties of 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 370.43 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-4-oxophthalazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 163947548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).