9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one

C19H21ClN6OS — CID 177039750

IUPAC9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one
SMILESCn1cc(CN2C(=O)c3cc(SNC4(C)CC4)cc(Cl)c3N3CCN=C23)cn1
InChIInChI=1S/C19H21ClN6OS/c1-19(3-4-19)23-28-13-7-14-16(15(20)8-13)25-6-5-21-18(25)26(17(14)27)11-12-9-22-24(2)10-12/h7-10,23H,3-6,11H2,1-2H3
InChIKeyHZKHEWHLECKXEQ-UHFFFAOYSA-N
MW416.94 g/mol
LogP3.05
Rot. Bonds5

About 9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one

9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one (PubChem CID 177039750) has the molecular formula C19H21ClN6OS and a molecular weight of 416.94 g/mol. Its IUPAC name is 9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one
PubChem CID177039750
Molecular FormulaC19H21ClN6OS
Molecular Weight416.94 g/mol
Exact Mass416.12
IUPAC Name9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one
SMILESCn1cc(CN2C(=O)c3cc(SNC4(C)CC4)cc(Cl)c3N3CCN=C23)cn1
InChIInChI=1S/C19H21ClN6OS/c1-19(3-4-19)23-28-13-7-14-16(15(20)8-13)25-6-5-21-18(25)26(17(14)27)11-12-9-22-24(2)10-12/h7-10,23H,3-6,11H2,1-2H3
InChIKeyHZKHEWHLECKXEQ-UHFFFAOYSA-N
XLogP3.05
TPSA65.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.94
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-difluoroprop-1-ynyl)-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one
CID 177039676
(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
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,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)-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)-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
6-amino-4-[(1-methylpyrazol-4-yl)methyl]-1,4-benzoxazin-3-one
CID 61311838
(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
5-amino-2-[2-(1-methylpyrazol-4-yl)ethyl]isoindole-1,3-dione
CID 80689338
1-[(3-chloro-4-fluorophenyl)methyl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-4a,7a-dihydrothieno[2,3-d]pyrimidine-6-sulfonamide
CID 171663972
6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
CID 61311449
5-[(1-methylpyrazol-4-yl)methylamino]isoindole-1,3-dione
CID 28600473

Frequently Asked Questions

What is the IUPAC name of 9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one?
The IUPAC name of 9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one (CID 177039750) is 9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one?
The canonical SMILES for 9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one is Cn1cc(CN2C(=O)c3cc(SNC4(C)CC4)cc(Cl)c3N3CCN=C23)cn1.
What is the InChIKey of 9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one?
The InChIKey is HZKHEWHLECKXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6OS/c1-19(3-4-19)23-28-13-7-14-16(15(20)8-13)25-6-5-21-18(25)26(17(14)27)11-12-9-22-24(2)10-12/h7-10,23H,3-6,11H2,1-2H3.
What are the key properties of 9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one?
9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one has a molecular weight of 416.94 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7-[(1-methylcyclopropyl)amino]sulfanyl-4-[(1-methylpyrazol-4-yl)methyl]-1,2-dihydroimidazo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 177039750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).