N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide

C19H22N4O3S — CID 135535644

IUPACN,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide
SMILESCN(Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H22N4O3S/c1-22(2)27(25,26)15-8-6-7-14(11-15)12-23(3)13-18-20-17-10-5-4-9-16(17)19(24)21-18/h4-11H,12-13H2,1-3H3,(H,20,21,24)
InChIKeyBOFAAPCWVNZEDU-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.81
Rot. Bonds6

About N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide

N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide (PubChem CID 135535644) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide
PubChem CID135535644
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide
SMILESCN(Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H22N4O3S/c1-22(2)27(25,26)15-8-6-7-14(11-15)12-23(3)13-18-20-17-10-5-4-9-16(17)19(24)21-18/h4-11H,12-13H2,1-3H3,(H,20,21,24)
InChIKeyBOFAAPCWVNZEDU-UHFFFAOYSA-N
XLogP1.81
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135756515
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135579792
N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735198
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)methanesulfonamide
CID 135592194
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
3-acetyl-N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735235
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135811807

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide (CID 135535644) is N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide is CN(Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide?
The InChIKey is BOFAAPCWVNZEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-22(2)27(25,26)15-8-6-7-14(11-15)12-23(3)13-18-20-17-10-5-4-9-16(17)19(24)21-18/h4-11H,12-13H2,1-3H3,(H,20,21,24).
What are the key properties of N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide?
N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135535644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).