2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide

C16H18N4O2S — CID 20965527

IUPAC2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(C)C(=O)N12
InChIInChI=1S/C16H18N4O2S/c1-9(2)17-13(21)8-23-16-19-12-7-5-4-6-11(12)14-18-10(3)15(22)20(14)16/h4-7,9-10H,8H2,1-3H3,(H,17,21)
InChIKeyNAQQVJVCKSNJSB-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.92
Rot. Bonds3

About 2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide

2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 20965527) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID20965527
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(C)C(=O)N12
InChIInChI=1S/C16H18N4O2S/c1-9(2)17-13(21)8-23-16-19-12-7-5-4-6-11(12)14-18-10(3)15(22)20(14)16/h4-7,9-10H,8H2,1-3H3,(H,17,21)
InChIKeyNAQQVJVCKSNJSB-UHFFFAOYSA-N
XLogP1.92
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965515
N-(3,5-dimethoxyphenyl)-2-[[(2R)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 41493044
N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 18592348
(2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92694440
N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965529
2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46349446
(2S)-2-[[(2R)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 92725973
2-[5-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3325908
2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 4305426
N-(3,4-dimethoxyphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965549
N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92694432
(2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750729

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide (CID 20965527) is 2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(C)C(=O)N12.
What is the InChIKey of 2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is NAQQVJVCKSNJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-9(2)17-13(21)8-23-16-19-12-7-5-4-6-11(12)14-18-10(3)15(22)20(14)16/h4-7,9-10H,8H2,1-3H3,(H,17,21).
What are the key properties of 2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide?
2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 330.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 20965527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).