N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide

C19H14N6O3S — CID 74228199

IUPACN-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(Cc1ccco1)c1ncnc2nc[nH]c12
InChIInChI=1S/C19H14N6O3S/c26-29(27,15-7-1-4-13-5-2-8-20-16(13)15)25(10-14-6-3-9-28-14)19-17-18(22-11-21-17)23-12-24-19/h1-9,11-12H,10H2,(H,21,22,23,24)
InChIKeyBPRJYATYQFZRPX-UHFFFAOYSA-N
MW406.43 g/mol
LogP2.89
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide

N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide (PubChem CID 74228199) has the molecular formula C19H14N6O3S and a molecular weight of 406.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide
PubChem CID74228199
Molecular FormulaC19H14N6O3S
Molecular Weight406.43 g/mol
Exact Mass406.08
IUPAC NameN-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(Cc1ccco1)c1ncnc2nc[nH]c12
InChIInChI=1S/C19H14N6O3S/c26-29(27,15-7-1-4-13-5-2-8-20-16(13)15)25(10-14-6-3-9-28-14)19-17-18(22-11-21-17)23-12-24-19/h1-9,11-12H,10H2,(H,21,22,23,24)
InChIKeyBPRJYATYQFZRPX-UHFFFAOYSA-N
XLogP2.89
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75466744
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(furan-2-ylmethyl)quinoline-8-sulfonamide
CID 24730700
6-N,6-N-bis(furan-2-ylmethyl)-7H-purine-2,6-diamine
CID 75505978
6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114783888
N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3953201
N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 4237814
2-(N-quinolin-8-ylsulfonylanilino)acetic acid
CID 146018152
N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide
CID 24732456
N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide
CID 5075068
N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 104787205

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide (CID 74228199) is N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide is O=S(=O)(c1cccc2cccnc12)N(Cc1ccco1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide?
The InChIKey is BPRJYATYQFZRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3S/c26-29(27,15-7-1-4-13-5-2-8-20-16(13)15)25(10-14-6-3-9-28-14)19-17-18(22-11-21-17)23-12-24-19/h1-9,11-12H,10H2,(H,21,22,23,24).
What are the key properties of N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide?
N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide has a molecular weight of 406.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 74228199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).