methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate

C22H19N3O4S — CID 47026133

IUPACmethyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)o1
InChIInChI=1S/C22H19N3O4S/c1-13-8-11-19(23-12-13)25-20(26)15-6-4-5-7-16(15)24-22(25)30-14(2)17-9-10-18(29-17)21(27)28-3/h4-12,14H,1-3H3
InChIKeyOWVFKXXPVIJKMN-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.32
Rot. Bonds5

About methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate

methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate (PubChem CID 47026133) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate
PubChem CID47026133
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Namemethyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)o1
InChIInChI=1S/C22H19N3O4S/c1-13-8-11-19(23-12-13)25-20(26)15-6-4-5-7-16(15)24-22(25)30-14(2)17-9-10-18(29-17)21(27)28-3/h4-12,14H,1-3H3
InChIKeyOWVFKXXPVIJKMN-UHFFFAOYSA-N
XLogP4.32
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 40584034
N-[(2S)-butan-2-yl]-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40583990
2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 42895290
(2S)-N-(2-acetylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 27947547
(2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41399900
2-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 30338506
4-[[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27592797
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 17404225
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 27947563
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55525509
ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
CID 55321004
2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 55423864

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate (CID 47026133) is methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)o1.
What is the InChIKey of methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate?
The InChIKey is OWVFKXXPVIJKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-13-8-11-19(23-12-13)25-20(26)15-6-4-5-7-16(15)24-22(25)30-14(2)17-9-10-18(29-17)21(27)28-3/h4-12,14H,1-3H3.
What are the key properties of methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate?
methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate has a molecular weight of 421.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]furan-2-carboxylate is sourced from PubChem (CID 47026133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).