4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide

C19H15N5O3S — CID 164972295

IUPAC4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide
SMILESCc1cc2ncc3[nH]c(=O)n(Cc4ccc(S(N)(=O)=O)cc4)c3c2cc1C#N
InChIInChI=1S/C19H15N5O3S/c1-11-6-16-15(7-13(11)8-20)18-17(9-22-16)23-19(25)24(18)10-12-2-4-14(5-3-12)28(21,26)27/h2-7,9H,10H2,1H3,(H,23,25)(H2,21,26,27)
InChIKeyDHGDPFKWEYBEAX-UHFFFAOYSA-N
MW393.43 g/mol
LogP1.75
Rot. Bonds3

About 4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide

4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide (PubChem CID 164972295) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide
PubChem CID164972295
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide
SMILESCc1cc2ncc3[nH]c(=O)n(Cc4ccc(S(N)(=O)=O)cc4)c3c2cc1C#N
InChIInChI=1S/C19H15N5O3S/c1-11-6-16-15(7-13(11)8-20)18-17(9-22-16)23-19(25)24(18)10-12-2-4-14(5-3-12)28(21,26)27/h2-7,9H,10H2,1H3,(H,23,25)(H2,21,26,27)
InChIKeyDHGDPFKWEYBEAX-UHFFFAOYSA-N
XLogP1.75
TPSA134.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide (CID 164972295) is 4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide is Cc1cc2ncc3[nH]c(=O)n(Cc4ccc(S(N)(=O)=O)cc4)c3c2cc1C#N.
What is the InChIKey of 4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide?
The InChIKey is DHGDPFKWEYBEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-11-6-16-15(7-13(11)8-20)18-17(9-22-16)23-19(25)24(18)10-12-2-4-14(5-3-12)28(21,26)27/h2-7,9H,10H2,1H3,(H,23,25)(H2,21,26,27).
What are the key properties of 4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide?
4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide has a molecular weight of 393.43 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 164972295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).