N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C24H20N6O2S — CID 55771246

IUPACN-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1nc2ccccc2c2c(NC(=O)Cc3csc(N4CCNC4=O)n3)c3ccccc3n12
InChIInChI=1S/C24H20N6O2S/c1-14-26-18-8-4-2-6-16(18)22-21(17-7-3-5-9-19(17)30(14)22)28-20(31)12-15-13-33-24(27-15)29-11-10-25-23(29)32/h2-9,13H,10-12H2,1H3,(H,25,32)(H,28,31)
InChIKeyIMJYIGURKCVDCZ-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.12
Rot. Bonds4

About N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55771246) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID55771246
Molecular FormulaC24H20N6O2S
Molecular Weight456.53 g/mol
Exact Mass456.14
IUPAC NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1nc2ccccc2c2c(NC(=O)Cc3csc(N4CCNC4=O)n3)c3ccccc3n12
InChIInChI=1S/C24H20N6O2S/c1-14-26-18-8-4-2-6-16(18)22-21(17-7-3-5-9-19(17)30(14)22)28-20(31)12-15-13-33-24(27-15)29-11-10-25-23(29)32/h2-9,13H,10-12H2,1H3,(H,25,32)(H,28,31)
InChIKeyIMJYIGURKCVDCZ-UHFFFAOYSA-N
XLogP4.12
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 55771246) is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is Cc1nc2ccccc2c2c(NC(=O)Cc3csc(N4CCNC4=O)n3)c3ccccc3n12.
What is the InChIKey of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is IMJYIGURKCVDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-14-26-18-8-4-2-6-16(18)22-21(17-7-3-5-9-19(17)30(14)22)28-20(31)12-15-13-33-24(27-15)29-11-10-25-23(29)32/h2-9,13H,10-12H2,1H3,(H,25,32)(H,28,31).
What are the key properties of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 456.53 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55771246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).