N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide

C20H20N4O4S — CID 135729781

IUPACN-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H20N4O4S/c1-2-24(12-18-21-17-6-4-3-5-15(17)20(26)23-18)29(27,28)14-8-9-16-13(11-14)7-10-19(25)22-16/h3-6,8-9,11H,2,7,10,12H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyOQQILRKHGFJCJS-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.02
Rot. Bonds5

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

N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 135729781) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID135729781
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H20N4O4S/c1-2-24(12-18-21-17-6-4-3-5-15(17)20(26)23-18)29(27,28)14-8-9-16-13(11-14)7-10-19(25)22-16/h3-6,8-9,11H,2,7,10,12H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyOQQILRKHGFJCJS-UHFFFAOYSA-N
XLogP2.02
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735198
4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735216
4-chloro-N-ethyl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735208
4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 135509255
(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 135734831
3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 137252351
3-acetyl-N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735235
N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide
CID 135535644
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8802288
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)methanesulfonamide
CID 135592194
N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46282011
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 135729781) is N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is OQQILRKHGFJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-2-24(12-18-21-17-6-4-3-5-15(17)20(26)23-18)29(27,28)14-8-9-16-13(11-14)7-10-19(25)22-16/h3-6,8-9,11H,2,7,10,12H2,1H3,(H,22,25)(H,21,23,26).
What are the key properties of N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 412.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 135729781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).