3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one

C15H13N3O3S — CID 713202

IUPAC3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2N)o1
InChIInChI=1S/C15H13N3O3S/c1-9-6-7-13(21-9)12(19)8-22-15-17-11-5-3-2-4-10(11)14(20)18(15)16/h2-7H,8,16H2,1H3
InChIKeyMZNGKCLYHKUGJF-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.99
Rot. Bonds4

About 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one

3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one (PubChem CID 713202) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one
PubChem CID713202
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2N)o1
InChIInChI=1S/C15H13N3O3S/c1-9-6-7-13(21-9)12(19)8-22-15-17-11-5-3-2-4-10(11)14(20)18(15)16/h2-7H,8,16H2,1H3
InChIKeyMZNGKCLYHKUGJF-UHFFFAOYSA-N
XLogP1.99
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one 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-(4-oxo-4H-3,1-benzothiazin-2-yl)-2-furamide
CID 2810063
N-[[5-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]furan-2-yl]methyl]acetamide
CID 2572553
Methyl 5-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2609912
Methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate
CID 2610943
Methyl 5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 8300116
Methyl 5-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 7421289
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3H-quinazolin-4-one
CID 135418925
3-(3-Fluoro-4-methylphenyl)-2-[2-(furan-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 17460440
3-amino-2-{[2-(4-fluorophenoxy)ethyl]sulfanyl}quinazolin-4(3H)-one
CID 53366586
3-amino-2-[(3-fluoro-4-methoxybenzyl)sulfanyl]quinazolin-4(3H)-one
CID 53366598
3-amino-7-fluoro-2-{[2-(4-fluorophenoxy)ethyl]sulfanyl}quinazolin-4(3H)-one
CID 53366621
3-amino-7-fluoro-2-[(3-methoxybenzyl)sulfanyl]quinazolin-4(3H)-one
CID 53490279

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one (CID 713202) is 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one is Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2N)o1.
What is the InChIKey of 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
The InChIKey is MZNGKCLYHKUGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-9-6-7-13(21-9)12(19)8-22-15-17-11-5-3-2-4-10(11)14(20)18(15)16/h2-7H,8,16H2,1H3.
What are the key properties of 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one has a molecular weight of 315.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(5-methylfuran-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 713202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).