ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C22H24N4O4S — CID 71296834

IUPACethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCn2cnc3ccccc3c2=O)sc2c1CCN(C)C2
InChIInChI=1S/C22H24N4O4S/c1-3-30-22(29)19-15-8-10-25(2)12-17(15)31-20(19)24-18(27)9-11-26-13-23-16-7-5-4-6-14(16)21(26)28/h4-7,13H,3,8-12H2,1-2H3,(H,24,27)
InChIKeyIXUGNOCQFRXDMN-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.65
Rot. Bonds6

About ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 71296834) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID71296834
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Nameethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCn2cnc3ccccc3c2=O)sc2c1CCN(C)C2
InChIInChI=1S/C22H24N4O4S/c1-3-30-22(29)19-15-8-10-25(2)12-17(15)31-20(19)24-18(27)9-11-26-13-23-16-7-5-4-6-14(16)21(26)28/h4-7,13H,3,8-12H2,1-2H3,(H,24,27)
InChIKeyIXUGNOCQFRXDMN-UHFFFAOYSA-N
XLogP2.65
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate 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

ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 33357435
ethyl 6,6-dioxo-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
CID 16602862
ethyl 6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4809011
ethyl 6-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950123
ethyl 6-methyl-2-(naphthalene-1-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3712663
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 5146460
ethyl 6-methyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 41151553
ethyl 6-methyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3712667
ethyl 2-[3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 23889160
ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 41324513
ethyl 6-methyl-2-(methylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 134113577
ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44901146

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 71296834) is ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(NC(=O)CCn2cnc3ccccc3c2=O)sc2c1CCN(C)C2.
What is the InChIKey of ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is IXUGNOCQFRXDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-3-30-22(29)19-15-8-10-25(2)12-17(15)31-20(19)24-18(27)9-11-26-13-23-16-7-5-4-6-14(16)21(26)28/h4-7,13H,3,8-12H2,1-2H3,(H,24,27).
What are the key properties of ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 440.53 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 71296834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).