N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide

C21H19N3OS2 — CID 112768095

IUPACN-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide
SMILESCc1nc2ccccc2c2c(NC(=O)C3CSCCS3)c3ccccc3n12
InChIInChI=1S/C21H19N3OS2/c1-13-22-16-8-4-2-6-14(16)20-19(15-7-3-5-9-17(15)24(13)20)23-21(25)18-12-26-10-11-27-18/h2-9,18H,10-12H2,1H3,(H,23,25)
InChIKeyQYYXDRDDUWBXHT-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.74
Rot. Bonds2

About N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide

N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide (PubChem CID 112768095) has the molecular formula C21H19N3OS2 and a molecular weight of 393.54 g/mol. Its IUPAC name is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide
PubChem CID112768095
Molecular FormulaC21H19N3OS2
Molecular Weight393.54 g/mol
Exact Mass393.10
IUPAC NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide
SMILESCc1nc2ccccc2c2c(NC(=O)C3CSCCS3)c3ccccc3n12
InChIInChI=1S/C21H19N3OS2/c1-13-22-16-8-4-2-6-14(16)20-19(15-7-3-5-9-17(15)24(13)20)23-21(25)18-12-26-10-11-27-18/h2-9,18H,10-12H2,1H3,(H,23,25)
InChIKeyQYYXDRDDUWBXHT-UHFFFAOYSA-N
XLogP4.74
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide?
The IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide (CID 112768095) is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide is Cc1nc2ccccc2c2c(NC(=O)C3CSCCS3)c3ccccc3n12.
What is the InChIKey of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide?
The InChIKey is QYYXDRDDUWBXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS2/c1-13-22-16-8-4-2-6-14(16)20-19(15-7-3-5-9-17(15)24(13)20)23-21(25)18-12-26-10-11-27-18/h2-9,18H,10-12H2,1H3,(H,23,25).
What are the key properties of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide?
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 112768095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).