N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide

C20H24N6O2S — CID 155253346

IUPACN-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2c(nc(C)n2C(C)C)CC3)cc1
InChIInChI=1S/C20H24N6O2S/c1-12(2)26-13(3)23-17-10-5-14-11-22-20(25-18(14)19(17)26)24-15-6-8-16(9-7-15)29(27,28)21-4/h6-9,11-12,21H,5,10H2,1-4H3,(H,22,24,25)
InChIKeyBCNMAQPGTVSMLE-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.98
Rot. Bonds5

About N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide

N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide (PubChem CID 155253346) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide
PubChem CID155253346
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC NameN-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2c(nc(C)n2C(C)C)CC3)cc1
InChIInChI=1S/C20H24N6O2S/c1-12(2)26-13(3)23-17-10-5-14-11-22-20(25-18(14)19(17)26)24-15-6-8-16(9-7-15)29(27,28)21-4/h6-9,11-12,21H,5,10H2,1-4H3,(H,22,24,25)
InChIKeyBCNMAQPGTVSMLE-UHFFFAOYSA-N
XLogP2.98
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(dimethylamino)propyl]-4-[(1,2-dimethyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]-3-fluorobenzenesulfonamide
CID 155253378
4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol
CID 135502637
N-cyclopropyl-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167187670
2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
CID 11428427
8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46886959
N-(2-ethoxyethyl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 24887950
4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-propylsulfonylphenyl)pyrimidin-2-amine
CID 44588964
N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide
CID 67348792
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768
N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine
CID 167088730
4-[(9-chloro-6-oxo-5,7-dihydropyrimido[5,4-d][1]benzazepin-2-yl)amino]-N-(3-methylbutyl)benzenesulfonamide
CID 59851572
5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 167438289

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide (CID 155253346) is N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2c(nc(C)n2C(C)C)CC3)cc1.
What is the InChIKey of N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide?
The InChIKey is BCNMAQPGTVSMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-12(2)26-13(3)23-17-10-5-14-11-22-20(25-18(14)19(17)26)24-15-6-8-16(9-7-15)29(27,28)21-4/h6-9,11-12,21H,5,10H2,1-4H3,(H,22,24,25).
What are the key properties of N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide?
N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide has a molecular weight of 412.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide is sourced from PubChem (CID 155253346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).