N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

C23H24N4O3S — CID 163337554

IUPACN-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OCC)cc3)N21
InChIInChI=1S/C23H24N4O3S/c1-3-7-19-22(29)26-21-17-8-5-6-9-18(17)25-23(27(19)21)31-14-20(28)24-15-10-12-16(13-11-15)30-4-2/h5-6,8-13,19H,3-4,7,14H2,1-2H3,(H,24,28)
InChIKeyVFGLNQUGARELGS-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.22
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 163337554) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID163337554
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OCC)cc3)N21
InChIInChI=1S/C23H24N4O3S/c1-3-7-19-22(29)26-21-17-8-5-6-9-18(17)25-23(27(19)21)31-14-20(28)24-15-10-12-16(13-11-15)30-4-2/h5-6,8-13,19H,3-4,7,14H2,1-2H3,(H,24,28)
InChIKeyVFGLNQUGARELGS-UHFFFAOYSA-N
XLogP4.22
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 163337554) is N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is CCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OCC)cc3)N21.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is VFGLNQUGARELGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-3-7-19-22(29)26-21-17-8-5-6-9-18(17)25-23(27(19)21)31-14-20(28)24-15-10-12-16(13-11-15)30-4-2/h5-6,8-13,19H,3-4,7,14H2,1-2H3,(H,24,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 436.54 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 163337554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).