N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide

C22H28FN7O2S — CID 155253378

IUPACN-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide
SMILESCc1nc2c(n1C)-c1nc(Nc3ccc(S(=O)(=O)NCCCN(C)C)cc3F)ncc1CC2
InChIInChI=1S/C22H28FN7O2S/c1-14-26-19-8-6-15-13-24-22(28-20(15)21(19)30(14)4)27-18-9-7-16(12-17(18)23)33(31,32)25-10-5-11-29(2)3/h7,9,12-13,25H,5-6,8,10-11H2,1-4H3,(H,24,27,28)
InChIKeyWQODAEUNSZGHJR-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.40
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide

N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide (PubChem CID 155253378) has the molecular formula C22H28FN7O2S and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide
PubChem CID155253378
Molecular FormulaC22H28FN7O2S
Molecular Weight473.58 g/mol
Exact Mass473.20
IUPAC NameN-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide
SMILESCc1nc2c(n1C)-c1nc(Nc3ccc(S(=O)(=O)NCCCN(C)C)cc3F)ncc1CC2
InChIInChI=1S/C22H28FN7O2S/c1-14-26-19-8-6-15-13-24-22(28-20(15)21(19)30(14)4)27-18-9-7-16(12-17(18)23)33(31,32)25-10-5-11-29(2)3/h7,9,12-13,25H,5-6,8,10-11H2,1-4H3,(H,24,27,28)
InChIKeyWQODAEUNSZGHJR-UHFFFAOYSA-N
XLogP2.40
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide
CID 155253346
N-(4-aminobutyl)-3-fluoro-4-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;hydrochloride
CID 177052169
N-(6-aminohexyl)-3-fluoro-4-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 177052015
N-(6-aminohexyl)-3-fluoro-4-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;hydrochloride
CID 177052014
2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
CID 62145237
N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760105
N-[2-(dimethylamino)ethyl]-4-(2-fluoro-4-methylanilino)-3-nitrobenzenesulfonamide
CID 9250673
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62158260
N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
CID 110759938
3-fluoro-4-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzenesulfonamide
CID 71997436
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-fluoro-4-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;hydrochloride
CID 177052233

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide (CID 155253378) is N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide is Cc1nc2c(n1C)-c1nc(Nc3ccc(S(=O)(=O)NCCCN(C)C)cc3F)ncc1CC2.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide?
The InChIKey is WQODAEUNSZGHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN7O2S/c1-14-26-19-8-6-15-13-24-22(28-20(15)21(19)30(14)4)27-18-9-7-16(12-17(18)23)33(31,32)25-10-5-11-29(2)3/h7,9,12-13,25H,5-6,8,10-11H2,1-4H3,(H,24,27,28).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide?
N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide has a molecular weight of 473.58 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 155253378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).