(1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide

C20H26N4O4S — CID 170413373

IUPAC(1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
SMILESCC(C)C(=O)CN1C(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2N2C1=NC[C@H]2C
InChIInChI=1S/C20H26N4O4S/c1-12(2)17(25)11-23-18(26)15-9-14(29(27,28)22-20(4)7-8-20)5-6-16(15)24-13(3)10-21-19(23)24/h5-6,9,12-13,22H,7-8,10-11H2,1-4H3/t13-/m1/s1
InChIKeyGTZKPUSMTMBGTP-CYBMUJFWSA-N
MW418.52 g/mol
LogP1.76
Rot. Bonds6

About (1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide

(1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide (PubChem CID 170413373) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is (1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide.

Molecular Properties

Compound Name(1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
PubChem CID170413373
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name(1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
SMILESCC(C)C(=O)CN1C(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2N2C1=NC[C@H]2C
InChIInChI=1S/C20H26N4O4S/c1-12(2)17(25)11-23-18(26)15-9-14(29(27,28)22-20(4)7-8-20)5-6-16(15)24-13(3)10-21-19(23)24/h5-6,9,12-13,22H,7-8,10-11H2,1-4H3/t13-/m1/s1
InChIKeyGTZKPUSMTMBGTP-CYBMUJFWSA-N
XLogP1.76
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-4-[(1,2-dimethyl-5-oxopyrazol-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170423844
(1S)-4-ethyl-N-(1-methylcyclopropyl)-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353763
(1R)-1-methyl-N-(1-methylcyclopropyl)-4-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353403
(1R)-4-[(E)-3-(aminomethyl)-4-(methylamino)but-3-en-2-yl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170592582
(1R)-4-[(3,5-dimethylimidazol-4-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353733
(1R)-1-methyl-N-(1-methylcyclopropyl)-4-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353431
(1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 177039669
N,N-dimethyl-4-[(1R)-1-methyl-7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazolin-9-yl]piperazine-1-carboxamide
CID 170353416
(1R)-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-1-methyl-5-oxo-N-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353400
(1R)-1-[2-[1-(dimethylamino)cyclopropyl]ethynyl]-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 177039780
(1R,2S)-1,2-dimethyl-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353796
(1R)-9-bromo-4-[dideuterio-(1-methylpyrazol-4-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170522986

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
The IUPAC name of (1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide (CID 170413373) is (1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide.
What is the SMILES notation for (1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
The canonical SMILES for (1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide is CC(C)C(=O)CN1C(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2N2C1=NC[C@H]2C.
What is the InChIKey of (1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
The InChIKey is GTZKPUSMTMBGTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-12(2)17(25)11-23-18(26)15-9-14(29(27,28)22-20(4)7-8-20)5-6-16(15)24-13(3)10-21-19(23)24/h5-6,9,12-13,22H,7-8,10-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
(1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide has a molecular weight of 418.52 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide is sourced from PubChem (CID 170413373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).