ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate

C26H24N4O4S — CID 55321004

IUPACethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1)c1ccccc1
InChIInChI=1S/C26H24N4O4S/c1-3-34-24(32)16-29(19-9-5-4-6-10-19)23(31)17-35-26-28-21-12-8-7-11-20(21)25(33)30(26)22-14-13-18(2)15-27-22/h4-15H,3,16-17H2,1-2H3
InChIKeyXZZXNVPDTSVVDB-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.78
Rot. Bonds8

About ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate

ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate (PubChem CID 55321004) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
PubChem CID55321004
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC Nameethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1)c1ccccc1
InChIInChI=1S/C26H24N4O4S/c1-3-34-24(32)16-29(19-9-5-4-6-10-19)23(31)17-35-26-28-21-12-8-7-11-20(21)25(33)30(26)22-14-13-18(2)15-27-22/h4-15H,3,16-17H2,1-2H3
InChIKeyXZZXNVPDTSVVDB-UHFFFAOYSA-N
XLogP3.78
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate with MolForge

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Related Compounds

ethyl 2-(N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
CID 55321708
ethyl 2-(N-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
CID 3173058
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 17404225
3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one
CID 46821916
2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 42895290
N-[(2S)-butan-2-yl]-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40583990
4-[[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27592797
3-(N-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)propanamide
CID 27320646
(2R)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 40584034
N-(2-chloro-4-methylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112784018
N,N-diethyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1272963
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55525509

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate (CID 55321004) is ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate is CCOC(=O)CN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate?
The InChIKey is XZZXNVPDTSVVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-3-34-24(32)16-29(19-9-5-4-6-10-19)23(31)17-35-26-28-21-12-8-7-11-20(21)25(33)30(26)22-14-13-18(2)15-27-22/h4-15H,3,16-17H2,1-2H3.
What are the key properties of ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate?
ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate has a molecular weight of 488.57 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate is sourced from PubChem (CID 55321004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).