8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one

C22H24N4O4S — CID 19896862

IUPAC8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
SMILESCC1(C)CC(=O)Nc2cc3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)[nH]c3cc21
InChIInChI=1S/C22H24N4O4S/c1-22(2)13-20(27)23-17-12-19-18(11-16(17)22)24-21(25-19)14-3-5-15(6-4-14)31(28,29)26-7-9-30-10-8-26/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyAJODYOOVRFLFTM-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.87
Rot. Bonds3

About 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one

8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one (PubChem CID 19896862) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
PubChem CID19896862
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
SMILESCC1(C)CC(=O)Nc2cc3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)[nH]c3cc21
InChIInChI=1S/C22H24N4O4S/c1-22(2)13-20(27)23-17-12-19-18(11-16(17)22)24-21(25-19)14-3-5-15(6-4-14)31(28,29)26-7-9-30-10-8-26/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyAJODYOOVRFLFTM-UHFFFAOYSA-N
XLogP2.87
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one with MolForge

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Related Compounds

4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid
CID 19896803
4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 103597241
4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 117058420
methyl 2-(4-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylate
CID 103597300
7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 19938590
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
CID 142983845
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;tetrahydrate
CID 22162173
4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione
CID 18523941
4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one
CID 25104840
4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one
CID 91958530

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
The IUPAC name of 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one (CID 19896862) is 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
The canonical SMILES for 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one is CC1(C)CC(=O)Nc2cc3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)[nH]c3cc21.
What is the InChIKey of 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
The InChIKey is AJODYOOVRFLFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-22(2)13-20(27)23-17-12-19-18(11-16(17)22)24-21(25-19)14-3-5-15(6-4-14)31(28,29)26-7-9-30-10-8-26/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one has a molecular weight of 440.53 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one is sourced from PubChem (CID 19896862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).