(1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide

C18H21BrN4O3S — CID 177039673

IUPAC(1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
SMILESC[C@@H]1CN=C2N(C3CC3)C(=O)c3cc(S(=O)(=O)NC4(C)CC4)cc(Br)c3N21
InChIInChI=1S/C18H21BrN4O3S/c1-10-9-20-17-22(10)15-13(16(24)23(17)11-3-4-11)7-12(8-14(15)19)27(25,26)21-18(2)5-6-18/h7-8,10-11,21H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeyCRYAYHUJKCGGSP-SNVBAGLBSA-N
MW453.36 g/mol
LogP2.46
Rot. Bonds4

About (1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide

(1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide (PubChem CID 177039673) has the molecular formula C18H21BrN4O3S and a molecular weight of 453.36 g/mol. Its IUPAC name is (1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide.

Molecular Properties

Compound Name(1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
PubChem CID177039673
Molecular FormulaC18H21BrN4O3S
Molecular Weight453.36 g/mol
Exact Mass452.05
IUPAC Name(1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
SMILESC[C@@H]1CN=C2N(C3CC3)C(=O)c3cc(S(=O)(=O)NC4(C)CC4)cc(Br)c3N21
InChIInChI=1S/C18H21BrN4O3S/c1-10-9-20-17-22(10)15-13(16(24)23(17)11-3-4-11)7-12(8-14(15)19)27(25,26)21-18(2)5-6-18/h7-8,10-11,21H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeyCRYAYHUJKCGGSP-SNVBAGLBSA-N
XLogP2.46
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(1R)-9-cyano-1-methyl-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353458
(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)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170413373
(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)-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
(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-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
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
(1S)-4-ethyl-N-(1-methylcyclopropyl)-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353763
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 170353428

Frequently Asked Questions

What is the IUPAC name of (1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
The IUPAC name of (1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide (CID 177039673) is (1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide.
What is the SMILES notation for (1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
The canonical SMILES for (1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide is C[C@@H]1CN=C2N(C3CC3)C(=O)c3cc(S(=O)(=O)NC4(C)CC4)cc(Br)c3N21.
What is the InChIKey of (1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
The InChIKey is CRYAYHUJKCGGSP-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H21BrN4O3S/c1-10-9-20-17-22(10)15-13(16(24)23(17)11-3-4-11)7-12(8-14(15)19)27(25,26)21-18(2)5-6-18/h7-8,10-11,21H,3-6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?
(1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide has a molecular weight of 453.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide is sourced from PubChem (CID 177039673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).