2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide

C21H22N4OS — CID 55420439

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Sc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C21H22N4OS/c1-13(2)12-22-20(26)14(3)27-21-24-16-9-5-4-8-15(16)19-23-17-10-6-7-11-18(17)25(19)21/h4-11,13-14H,12H2,1-3H3,(H,22,26)
InChIKeyONBKFANGQJXGOL-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.29
Rot. Bonds5

About 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide (PubChem CID 55420439) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide
PubChem CID55420439
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Sc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C21H22N4OS/c1-13(2)12-22-20(26)14(3)27-21-24-16-9-5-4-8-15(16)19-23-17-10-6-7-11-18(17)25(19)21/h4-11,13-14H,12H2,1-3H3,(H,22,26)
InChIKeyONBKFANGQJXGOL-UHFFFAOYSA-N
XLogP4.29
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 9309881
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 18272930
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide
CID 4790109
(2R)-2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 7173202
N-(2-methylpropyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide
CID 46625010
N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46621109
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
ethyl 1-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)propanoyl]piperidine-4-carboxylate
CID 42972638
N-(2-methylpropyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 46623485
N-(2-methylpropyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46616976
(2R)-N-ethyl-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 41040981
(2S)-N-ethyl-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 41040982

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide (CID 55420439) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Sc1nc2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide?
The InChIKey is ONBKFANGQJXGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-13(2)12-22-20(26)14(3)27-21-24-16-9-5-4-8-15(16)19-23-17-10-6-7-11-18(17)25(19)21/h4-11,13-14H,12H2,1-3H3,(H,22,26).
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide has a molecular weight of 378.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 55420439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).