N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

C19H19N5O4S — CID 70788363

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cncnc2C)CC3)no1
InChIInChI=1S/C19H19N5O4S/c1-12-7-18(22-28-12)23-29(26,27)16-4-3-14-5-6-24(10-15(14)8-16)19(25)17-9-20-11-21-13(17)2/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyFXBUUFTVIQRHBS-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.08
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (PubChem CID 70788363) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
PubChem CID70788363
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cncnc2C)CC3)no1
InChIInChI=1S/C19H19N5O4S/c1-12-7-18(22-28-12)23-29(26,27)16-4-3-14-5-6-24(10-15(14)8-16)19(25)17-9-20-11-21-13(17)2/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyFXBUUFTVIQRHBS-UHFFFAOYSA-N
XLogP2.08
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70705688
N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-[6-(2-methoxyethoxy)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 118262958
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113051790
3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109259727
2-acetyl-N-(2,6-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300841
3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 109064428
2-(4-methylbenzoyl)-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644519
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370456
3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
CID 109213841
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
CID 109160970
N-[(5-methylfuran-2-yl)methyl]-2-(pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70780303
2-acetyl-N-(5-acetyl-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110618453

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CID 70788363) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cncnc2C)CC3)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The InChIKey is FXBUUFTVIQRHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-12-7-18(22-28-12)23-29(26,27)16-4-3-14-5-6-24(10-15(14)8-16)19(25)17-9-20-11-21-13(17)2/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,22,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide has a molecular weight of 413.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 70788363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).