2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide

C27H25N5O2S — CID 3441649

IUPAC2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(SC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12)C(=O)NCc1cccnc1
InChIInChI=1S/C27H25N5O2S/c1-2-23(25(33)29-17-19-11-8-14-28-16-19)35-27-31-21-13-7-6-12-20(21)24-30-22(26(34)32(24)27)15-18-9-4-3-5-10-18/h3-14,16,22-23H,2,15,17H2,1H3,(H,29,33)
InChIKeyMMPMWHJLSFVKTO-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.11
Rot. Bonds7

About 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide

2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 3441649) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
PubChem CID3441649
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC Name2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(SC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12)C(=O)NCc1cccnc1
InChIInChI=1S/C27H25N5O2S/c1-2-23(25(33)29-17-19-11-8-14-28-16-19)35-27-31-21-13-7-6-12-20(21)24-30-22(26(34)32(24)27)15-18-9-4-3-5-10-18/h3-14,16,22-23H,2,15,17H2,1H3,(H,29,33)
InChIKeyMMPMWHJLSFVKTO-UHFFFAOYSA-N
XLogP4.11
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide
CID 71601108
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(6-phenyl-3-pyridinyl)acetamide
CID 71601110
2-({3-[2-(4-morpholinyl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}thio)-N-(3-pyridinylmethyl)butanamide
CID 2937604
2-{[2-(1H-indol-3-ylmethyl)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]thio}-N-(3-methoxypropyl)acetamide
CID 3237004
N,N-diethyl-2-{[2-(1H-indol-3-ylmethyl)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]thio}acetamide
CID 3245588
2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 4022978
5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one
CID 4046734
N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide
CID 4204136
N-cyclohexyl-2-({2-[(1H-indol-3-yl)methyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide
CID 4595585
N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylpropanamide
CID 16286942
N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 127051441
2-[4-oxo-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 24818396

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide (CID 3441649) is 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide is CCC(SC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12)C(=O)NCc1cccnc1.
What is the InChIKey of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is MMPMWHJLSFVKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c1-2-23(25(33)29-17-19-11-8-14-28-16-19)35-27-31-21-13-7-6-12-20(21)24-30-22(26(34)32(24)27)15-18-9-4-3-5-10-18/h3-14,16,22-23H,2,15,17H2,1H3,(H,29,33).
What are the key properties of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide?
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 483.60 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 3441649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).