2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C17H17N3O3S — CID 864523

IUPAC2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C17H17N3O3S/c1-2-20-16(22)13-7-3-4-8-14(13)19-17(20)24-11-15(21)18-10-12-6-5-9-23-12/h3-9H,2,10-11H2,1H3,(H,18,21)
InChIKeyHNPAYAANQHVRBS-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.42
Rot. Bonds6

About 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 864523) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID864523
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C17H17N3O3S/c1-2-20-16(22)13-7-3-4-8-14(13)19-17(20)24-11-15(21)18-10-12-6-5-9-23-12/h3-9H,2,10-11H2,1H3,(H,18,21)
InChIKeyHNPAYAANQHVRBS-UHFFFAOYSA-N
XLogP2.42
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide 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

4(3H)-Quinazolinone, 3-furfuryl-2-methyl-
CID 64027
3-(2-Furylmethyl)-2-(mesitylimino)-1,3-thiazolan-4-one
CID 557424
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
2-{5-[(4-fluorobenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}-N-(2-furylmethyl)acetamide
CID 3243352
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
CID 683379
N-(4-oxo-4H-3,1-benzothiazin-2-yl)-2-furamide
CID 2810063
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 3936405
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 9204530
2-Allylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 331177
3-(Furan-2-ylmethyl)quinazolin-4-one
CID 332456
3-Benzyl-2-(2-furyl)-3,4-dihydro-4-quinazolinone
CID 563918
2-[(cyclohexylcarbamoyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 665349

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 864523) is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is CCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HNPAYAANQHVRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-20-16(22)13-7-3-4-8-14(13)19-17(20)24-11-15(21)18-10-12-6-5-9-23-12/h3-9H,2,10-11H2,1H3,(H,18,21).
What are the key properties of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 864523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).