2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide

C27H25N5O5S — CID 3432963

IUPAC2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N23)cc1
InChIInChI=1S/C27H25N5O5S/c1-2-36-18-11-9-17(10-12-18)29-24(34)16-38-27-31-21-8-4-3-7-20(21)25-30-22(26(35)32(25)27)14-23(33)28-15-19-6-5-13-37-19/h3-13,22H,2,14-16H2,1H3,(H,28,33)(H,29,34)
InChIKeyFMEYTUUQQLNLCF-UHFFFAOYSA-N
MW531.59 g/mol
LogP3.72
Rot. Bonds9

About 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide

2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3432963) has the molecular formula C27H25N5O5S and a molecular weight of 531.59 g/mol. Its IUPAC name is 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3432963
Molecular FormulaC27H25N5O5S
Molecular Weight531.59 g/mol
Exact Mass531.16
IUPAC Name2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N23)cc1
InChIInChI=1S/C27H25N5O5S/c1-2-36-18-11-9-17(10-12-18)29-24(34)16-38-27-31-21-8-4-3-7-20(21)25-30-22(26(35)32(25)27)14-23(33)28-15-19-6-5-13-37-19/h3-13,22H,2,14-16H2,1H3,(H,28,33)(H,29,34)
InChIKeyFMEYTUUQQLNLCF-UHFFFAOYSA-N
XLogP3.72
TPSA125.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.59
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 3432963) is 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide is CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N23)cc1.
What is the InChIKey of 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FMEYTUUQQLNLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O5S/c1-2-36-18-11-9-17(10-12-18)29-24(34)16-38-27-31-21-8-4-3-7-20(21)25-30-22(26(35)32(25)27)14-23(33)28-15-19-6-5-13-37-19/h3-13,22H,2,14-16H2,1H3,(H,28,33)(H,29,34).
What are the key properties of 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide?
2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 531.59 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3432963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).