N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide

C27H28N4O3S — CID 163335851

IUPACN-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide
SMILESO=C(CCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)c3ccccc3)N21)NC1CCCCC1
InChIInChI=1S/C27H28N4O3S/c32-23(18-9-3-1-4-10-18)17-35-27-29-21-14-8-7-13-20(21)25-30-26(34)22(31(25)27)15-16-24(33)28-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,22H,2,5-6,11-12,15-17H2,(H,28,33)
InChIKeyFSFXDXZGEXZHNU-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.49
Rot. Bonds7

About N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide

N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide (PubChem CID 163335851) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide
PubChem CID163335851
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide
SMILESO=C(CCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)c3ccccc3)N21)NC1CCCCC1
InChIInChI=1S/C27H28N4O3S/c32-23(18-9-3-1-4-10-18)17-35-27-29-21-14-8-7-13-20(21)25-30-26(34)22(31(25)27)15-16-24(33)28-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,22H,2,5-6,11-12,15-17H2,(H,28,33)
InChIKeyFSFXDXZGEXZHNU-UHFFFAOYSA-N
XLogP4.49
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)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

N-cyclohexyl-3-[5-[(4-nitrophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 163336549
3-[5-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-cyclohexylpropanamide
CID 163336655
N-benzyl-2-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163335867
N-cyclohexyl-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163337342
N-benzyl-3-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 163337016
3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 163337413
N-butyl-3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 163337628
N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337554
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
N-cyclopentyl-2-phenacylsulfanylacetamide
CID 126798493
N-benzyl-3-[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 156610999
2-[2-oxo-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(2-phenylethyl)acetamide
CID 156610968

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide (CID 163335851) is N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide is O=C(CCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)c3ccccc3)N21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide?
The InChIKey is FSFXDXZGEXZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c32-23(18-9-3-1-4-10-18)17-35-27-29-21-14-8-7-13-20(21)25-30-26(34)22(31(25)27)15-16-24(33)28-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,22H,2,5-6,11-12,15-17H2,(H,28,33).
What are the key properties of N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide?
N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide has a molecular weight of 488.61 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-oxo-5-phenacylsulfanyl-3H-imidazo[1,2-c]quinazolin-3-yl)propanamide is sourced from PubChem (CID 163335851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).