N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide

C23H13ClN4OS — CID 3290880

IUPACN-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1sc2ccccc2c1Cl
InChIInChI=1S/C23H13ClN4OS/c24-19-14-8-2-6-12-18(14)30-20(19)22(29)27-23-26-15-9-3-1-7-13(15)21-25-16-10-4-5-11-17(16)28(21)23/h1-12H,(H,26,27,29)
InChIKeyCZGNMTUOHUJOFC-UHFFFAOYSA-N
MW428.90 g/mol
LogP6.16
Rot. Bonds2

About N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide

N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 3290880) has the molecular formula C23H13ClN4OS and a molecular weight of 428.90 g/mol. Its IUPAC name is N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID3290880
Molecular FormulaC23H13ClN4OS
Molecular Weight428.90 g/mol
Exact Mass428.05
IUPAC NameN-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1sc2ccccc2c1Cl
InChIInChI=1S/C23H13ClN4OS/c24-19-14-8-2-6-12-18(14)30-20(19)22(29)27-23-26-15-9-3-1-7-13(15)21-25-16-10-4-5-11-17(16)28(21)23/h1-12H,(H,26,27,29)
InChIKeyCZGNMTUOHUJOFC-UHFFFAOYSA-N
XLogP6.16
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.90
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide (CID 3290880) is N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide is O=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1sc2ccccc2c1Cl.
What is the InChIKey of N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is CZGNMTUOHUJOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClN4OS/c24-19-14-8-2-6-12-18(14)30-20(19)22(29)27-23-26-15-9-3-1-7-13(15)21-25-16-10-4-5-11-17(16)28(21)23/h1-12H,(H,26,27,29).
What are the key properties of N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide?
N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3290880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).