N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C18H24N6O3S — CID 122295579

IUPACN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1cc(N(C)C)nc(NCCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C18H24N6O3S/c1-12-10-16(24(2)3)23-18(21-12)19-8-9-20-28(26,27)14-5-6-15-13(11-14)4-7-17(25)22-15/h5-6,10-11,20H,4,7-9H2,1-3H3,(H,22,25)(H,19,21,23)
InChIKeyQERBJXFZFWVPIN-UHFFFAOYSA-N
MW404.50 g/mol
LogP1.13
Rot. Bonds7

About N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 122295579) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID122295579
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1cc(N(C)C)nc(NCCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C18H24N6O3S/c1-12-10-16(24(2)3)23-18(21-12)19-8-9-20-28(26,27)14-5-6-15-13(11-14)4-7-17(25)22-15/h5-6,10-11,20H,4,7-9H2,1-3H3,(H,22,25)(H,19,21,23)
InChIKeyQERBJXFZFWVPIN-UHFFFAOYSA-N
XLogP1.13
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 122295588
3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 121075572
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide
CID 121075570
2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 27665585
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122324754
2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8843324
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]acetamide
CID 8801657
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856
N-(3-aminopropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119962110
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122295568

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 122295579) is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is QERBJXFZFWVPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-12-10-16(24(2)3)23-18(21-12)19-8-9-20-28(26,27)14-5-6-15-13(11-14)4-7-17(25)22-15/h5-6,10-11,20H,4,7-9H2,1-3H3,(H,22,25)(H,19,21,23).
What are the key properties of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 404.50 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 122295579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).