N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C22H24N6O4S — CID 55454987

IUPACN'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C22H24N6O4S/c29-19(25-26-20(30)17-13-33-22(24-17)27-9-11-32-12-10-27)8-7-18-23-16-4-2-1-3-15(16)21(31)28(18)14-5-6-14/h1-4,13-14H,5-12H2,(H,25,29)(H,26,30)
InChIKeyZUZHCTSPOYHACM-UHFFFAOYSA-N
MW468.54 g/mol
LogP1.42
Rot. Bonds6

About N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 55454987) has the molecular formula C22H24N6O4S and a molecular weight of 468.54 g/mol. Its IUPAC name is N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID55454987
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC NameN'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C22H24N6O4S/c29-19(25-26-20(30)17-13-33-22(24-17)27-9-11-32-12-10-27)8-7-18-23-16-4-2-1-3-15(16)21(31)28(18)14-5-6-14/h1-4,13-14H,5-12H2,(H,25,29)(H,26,30)
InChIKeyZUZHCTSPOYHACM-UHFFFAOYSA-N
XLogP1.42
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013163
N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 41452787
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
CID 56547700
2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide
CID 18120612
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55358331
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379
3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid
CID 80713286
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55515218

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 55454987) is N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is ZUZHCTSPOYHACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S/c29-19(25-26-20(30)17-13-33-22(24-17)27-9-11-32-12-10-27)8-7-18-23-16-4-2-1-3-15(16)21(31)28(18)14-5-6-14/h1-4,13-14H,5-12H2,(H,25,29)(H,26,30).
What are the key properties of N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 468.54 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 55454987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).