N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide

C17H21N3O3S — CID 135838193

IUPACN,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)-c1c(nc(C)[nH]c1=O)CC2
InChIInChI=1S/C17H21N3O3S/c1-4-20(5-2)24(22,23)13-8-6-12-7-9-15-16(14(12)10-13)17(21)19-11(3)18-15/h6,8,10H,4-5,7,9H2,1-3H3,(H,18,19,21)
InChIKeyQTFNRRHCGFKQLG-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.87
Rot. Bonds4

About N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide

N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide (PubChem CID 135838193) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide
PubChem CID135838193
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)-c1c(nc(C)[nH]c1=O)CC2
InChIInChI=1S/C17H21N3O3S/c1-4-20(5-2)24(22,23)13-8-6-12-7-9-15-16(14(12)10-13)17(21)19-11(3)18-15/h6,8,10H,4-5,7,9H2,1-3H3,(H,18,19,21)
InChIKeyQTFNRRHCGFKQLG-UHFFFAOYSA-N
XLogP1.87
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide?
The IUPAC name of N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide (CID 135838193) is N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide?
The canonical SMILES for N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)-c1c(nc(C)[nH]c1=O)CC2.
What is the InChIKey of N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide?
The InChIKey is QTFNRRHCGFKQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-20(5-2)24(22,23)13-8-6-12-7-9-15-16(14(12)10-13)17(21)19-11(3)18-15/h6,8,10H,4-5,7,9H2,1-3H3,(H,18,19,21).
What are the key properties of N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide?
N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide is sourced from PubChem (CID 135838193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).