(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

C21H30N6O3S — CID 170592582

IUPAC(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
SMILESCN/C=C(\CN)C(C)N1C(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2N2C1=NC[C@H]2C
InChIInChI=1S/C21H30N6O3S/c1-13-11-24-20-26(13)18-6-5-16(31(29,30)25-21(3)7-8-21)9-17(18)19(28)27(20)14(2)15(10-22)12-23-4/h5-6,9,12-14,23,25H,7-8,10-11,22H2,1-4H3/b15-12+/t13-,14?/m1/s1
InChIKeyIARBTJONMSQJHW-OMQWKHKCSA-N
MW446.58 g/mol
LogP0.99
Rot. Bonds7

About (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

(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 (PubChem CID 170592582) has the molecular formula C21H30N6O3S and a molecular weight of 446.58 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170592582
Molecular FormulaC21H30N6O3S
Molecular Weight446.58 g/mol
Exact Mass446.21
IUPAC Name(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
SMILESCN/C=C(\CN)C(C)N1C(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2N2C1=NC[C@H]2C
InChIInChI=1S/C21H30N6O3S/c1-13-11-24-20-26(13)18-6-5-16(31(29,30)25-21(3)7-8-21)9-17(18)19(28)27(20)14(2)15(10-22)12-23-4/h5-6,9,12-14,23,25H,7-8,10-11,22H2,1-4H3/b15-12+/t13-,14?/m1/s1
InChIKeyIARBTJONMSQJHW-OMQWKHKCSA-N
XLogP0.99
TPSA120.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(1R)-1-methyl-N-(1-methylcyclopropyl)-4-(3-methyl-2-oxobutyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170413373
(1S)-4-ethyl-N-(1-methylcyclopropyl)-5-oxo-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353763
(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-methyl-5-oxopyrrolidin-3-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353403
(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)-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)-9-bromo-4-cyclopropyl-1-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 177039673
(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
(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
4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one
CID 170412027
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN/C=C(\CN)C(C)N1C(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2N2C1=NC[C@H]2C.
What is the InChIKey of (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?
The InChIKey is IARBTJONMSQJHW-OMQWKHKCSA-N. The full InChI is InChI=1S/C21H30N6O3S/c1-13-11-24-20-26(13)18-6-5-16(31(29,30)25-21(3)7-8-21)9-17(18)19(28)27(20)14(2)15(10-22)12-23-4/h5-6,9,12-14,23,25H,7-8,10-11,22H2,1-4H3/b15-12+/t13-,14?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 446.58 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170592582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).