2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

C22H25N5O3S — CID 57461506

IUPAC2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1ccc2ncn(C(CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1
InChIInChI=1S/C22H25N5O3S/c1-14(28)25-16-7-8-18-17(12-16)21(30)27(13-24-18)19(11-15-5-3-2-4-6-15)20(29)26-22-23-9-10-31-22/h7-10,12-13,15,19H,2-6,11H2,1H3,(H,25,28)(H,23,26,29)
InChIKeyAOKUJQMKUDAECX-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.96
Rot. Bonds6

About 2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 57461506) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID57461506
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1ccc2ncn(C(CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1
InChIInChI=1S/C22H25N5O3S/c1-14(28)25-16-7-8-18-17(12-16)21(30)27(13-24-18)19(11-15-5-3-2-4-6-15)20(29)26-22-23-9-10-31-22/h7-10,12-13,15,19H,2-6,11H2,1H3,(H,25,28)(H,23,26,29)
InChIKeyAOKUJQMKUDAECX-UHFFFAOYSA-N
XLogP3.96
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (CID 57461506) is 2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is CC(=O)Nc1ccc2ncn(C(CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1.
What is the InChIKey of 2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is AOKUJQMKUDAECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-14(28)25-16-7-8-18-17(12-16)21(30)27(13-24-18)19(11-15-5-3-2-4-6-15)20(29)26-22-23-9-10-31-22/h7-10,12-13,15,19H,2-6,11H2,1H3,(H,25,28)(H,23,26,29).
What are the key properties of 2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 439.54 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 57461506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).