2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide

C22H24N4O4S — CID 3244041

IUPAC2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)cc1
InChIInChI=1S/C22H24N4O4S/c1-3-30-17-10-8-16(9-11-17)24-20(28)14-31-22-25-19-7-5-4-6-18(19)21(29)26(22)13-12-23-15(2)27/h4-11H,3,12-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyKZTXIPCDPSLPGY-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.66
Rot. Bonds9

About 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide

2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 3244041) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID3244041
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)cc1
InChIInChI=1S/C22H24N4O4S/c1-3-30-17-10-8-16(9-11-17)24-20(28)14-31-22-25-19-7-5-4-6-18(19)21(29)26(22)13-12-23-15(2)27/h4-11H,3,12-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyKZTXIPCDPSLPGY-UHFFFAOYSA-N
XLogP2.66
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-ethoxyphenyl)-2-(1-piperazinylmethyl)-4(3H)-quinazolinone
CID 11559627
N-[trans-4-(4-Cyanophenoxy)cyclohexyl]-3-[(4-Oxo-3,4-Dihydroquinazolin-2-Yl)sulfanyl]propanamide
CID 135566884
Balaglitazone
CID 9889200
2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11516387
2-Methyl-3-[4-({3-[(3S)-3-methyl-1-piperidinyl]propyl}oxy)phenyl]-4(3H)-quinazolinone
CID 24951038
N-[4-(3-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136224210
N-[4-(3-chlorophenoxy)cyclohexyl]-3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136240108
N-[4-(4-chlorophenoxy)cyclohexyl]-3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136240109
N-[4-(4-fluorophenoxy)cyclohexyl]-3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136249378
2-Propyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 24951351
3-Ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 2105619
3-[4-(4-ethoxyphenoxy)butyl]-4(3H)-quinazolinone
CID 2582718

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 3244041) is 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)cc1.
What is the InChIKey of 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is KZTXIPCDPSLPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-3-30-17-10-8-16(9-11-17)24-20(28)14-31-22-25-19-7-5-4-6-18(19)21(29)26(22)13-12-23-15(2)27/h4-11H,3,12-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 440.53 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 3244041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).