N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide

C25H28N4O4S — CID 50798608

IUPACN-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCOc1cc(NC(=O)C(C)SC2=Nc3ccccc3C3=NC(CC(C)C)C(=O)N23)cc(OC)c1
InChIInChI=1S/C25H28N4O4S/c1-14(2)10-21-24(31)29-22(27-21)19-8-6-7-9-20(19)28-25(29)34-15(3)23(30)26-16-11-17(32-4)13-18(12-16)33-5/h6-9,11-15,21H,10H2,1-5H3,(H,26,30)
InChIKeyDBGAVXRCAMGCRC-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.47
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide

N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (PubChem CID 50798608) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
PubChem CID50798608
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCOc1cc(NC(=O)C(C)SC2=Nc3ccccc3C3=NC(CC(C)C)C(=O)N23)cc(OC)c1
InChIInChI=1S/C25H28N4O4S/c1-14(2)10-21-24(31)29-22(27-21)19-8-6-7-9-20(19)28-25(29)34-15(3)23(30)26-16-11-17(32-4)13-18(12-16)33-5/h6-9,11-15,21H,10H2,1-5H3,(H,26,30)
InChIKeyDBGAVXRCAMGCRC-UHFFFAOYSA-N
XLogP4.47
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751087
(2S)-N-(3,5-dimethoxyphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750924
(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751116
(2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide
CID 92750999
(2R)-N-(3,5-dimethoxyphenyl)-2-[[(2R)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751204
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751055
(2R)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 92751144
(2R)-N-(3-methoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750776
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751084
N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 20965636
N-(2,4-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 50798563
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (CID 50798608) is N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is COc1cc(NC(=O)C(C)SC2=Nc3ccccc3C3=NC(CC(C)C)C(=O)N23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The InChIKey is DBGAVXRCAMGCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-14(2)10-21-24(31)29-22(27-21)19-8-6-7-9-20(19)28-25(29)34-15(3)23(30)26-16-11-17(32-4)13-18(12-16)33-5/h6-9,11-15,21H,10H2,1-5H3,(H,26,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide has a molecular weight of 480.59 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is sourced from PubChem (CID 50798608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).