7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C24H22N4O2S — CID 55344921

IUPAC7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1nc2ccccc2c2c(NC(=O)C3CSC4(C)CCC(=O)N34)c3ccccc3n12
InChIInChI=1S/C24H22N4O2S/c1-14-25-17-9-5-3-7-15(17)22-21(16-8-4-6-10-18(16)27(14)22)26-23(30)19-13-31-24(2)12-11-20(29)28(19)24/h3-10,19H,11-13H2,1-2H3,(H,26,30)
InChIKeyPJWLRRTZFBZZGF-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.34
Rot. Bonds2

About 7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 55344921) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID55344921
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1nc2ccccc2c2c(NC(=O)C3CSC4(C)CCC(=O)N34)c3ccccc3n12
InChIInChI=1S/C24H22N4O2S/c1-14-25-17-9-5-3-7-15(17)22-21(16-8-4-6-10-18(16)27(14)22)26-23(30)19-13-31-24(2)12-11-20(29)28(19)24/h3-10,19H,11-13H2,1-2H3,(H,26,30)
InChIKeyPJWLRRTZFBZZGF-UHFFFAOYSA-N
XLogP4.34
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 55344921) is 7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is Cc1nc2ccccc2c2c(NC(=O)C3CSC4(C)CCC(=O)N34)c3ccccc3n12.
What is the InChIKey of 7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is PJWLRRTZFBZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-14-25-17-9-5-3-7-15(17)22-21(16-8-4-6-10-18(16)27(14)22)26-23(30)19-13-31-24(2)12-11-20(29)28(19)24/h3-10,19H,11-13H2,1-2H3,(H,26,30).
What are the key properties of 7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 55344921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).