(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

C25H26N4O4S — CID 92751084

IUPAC(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
SMILESCC(C)C[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)N2C1=O
InChIInChI=1S/C25H26N4O4S/c1-14(2)12-19-24(31)29-22(27-19)17-6-4-5-7-18(17)28-25(29)34-15(3)23(30)26-16-8-9-20-21(13-16)33-11-10-32-20/h4-9,13-15,19H,10-12H2,1-3H3,(H,26,30)/t15-,19+/m1/s1
InChIKeySDUMOKWRYMSEDM-BEFAXECRSA-N
MW478.57 g/mol
LogP4.22
Rot. Bonds5

About (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

(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 (PubChem CID 92751084) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID92751084
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name(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
SMILESCC(C)C[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)N2C1=O
InChIInChI=1S/C25H26N4O4S/c1-14(2)12-19-24(31)29-22(27-19)17-6-4-5-7-18(17)28-25(29)34-15(3)23(30)26-16-8-9-20-21(13-16)33-11-10-32-20/h4-9,13-15,19H,10-12H2,1-3H3,(H,26,30)/t15-,19+/m1/s1
InChIKeySDUMOKWRYMSEDM-BEFAXECRSA-N
XLogP4.22
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 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

(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751116
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751087
N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 50798608
N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 20965636
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956
N-(1,3-benzodioxol-5-yl)-2-[[3-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 4068864
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751055
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[(2R)-2-[3-(cyclohexylamino)-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98357480
(2R)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 92751144
(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-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750847
(2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751211

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)C[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)N2C1=O.
What is the InChIKey of (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?
The InChIKey is SDUMOKWRYMSEDM-BEFAXECRSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-14(2)12-19-24(31)29-22(27-19)17-6-4-5-7-18(17)28-25(29)34-15(3)23(30)26-16-8-9-20-21(13-16)33-11-10-32-20/h4-9,13-15,19H,10-12H2,1-3H3,(H,26,30)/t15-,19+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 478.57 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 92751084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).