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

C19H17N3O4S — CID 90565229

IUPACmethyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
SMILESCOC(=O)C1c2ccsc2CCN1C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C19H17N3O4S/c1-26-19(25)17-13-7-9-27-15(13)6-8-22(17)16(23)10-21-11-20-14-5-3-2-4-12(14)18(21)24/h2-5,7,9,11,17H,6,8,10H2,1H3
InChIKeyRQCADIKIKIRFAJ-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.76
Rot. Bonds3

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

methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate (PubChem CID 90565229) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
PubChem CID90565229
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Namemethyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
SMILESCOC(=O)C1c2ccsc2CCN1C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C19H17N3O4S/c1-26-19(25)17-13-7-9-27-15(13)6-8-22(17)16(23)10-21-11-20-14-5-3-2-4-12(14)18(21)24/h2-5,7,9,11,17H,6,8,10H2,1H3
InChIKeyRQCADIKIKIRFAJ-UHFFFAOYSA-N
XLogP1.76
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one
CID 51280886
6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one
CID 46598306
3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-8-methylquinazolin-4-one
CID 51270851
methyl 5-(2-pyridin-3-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565196
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
methyl 5-[2-(4-ethoxyphenoxy)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565326
methyl (3R)-2-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8594728
3-[2-oxo-2-(2-phenyl-1,3-thiazolidin-3-yl)ethyl]quinazolin-4-one
CID 122329221
3-[2-oxo-2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]quinazolin-4-one
CID 122272666
3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 157013903
methyl 5-(2-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565267
3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 42920440

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The IUPAC name of methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate (CID 90565229) is methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate is COC(=O)C1c2ccsc2CCN1C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The InChIKey is RQCADIKIKIRFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-26-19(25)17-13-7-9-27-15(13)6-8-22(17)16(23)10-21-11-20-14-5-3-2-4-12(14)18(21)24/h2-5,7,9,11,17H,6,8,10H2,1H3.
What are the key properties of methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate has a molecular weight of 383.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate is sourced from PubChem (CID 90565229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).