methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate

C20H21N3O4S — CID 27146774

IUPACmethyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)CCn2cnc3c(C)cccc3c2=O)sc(C)c1C
InChIInChI=1S/C20H21N3O4S/c1-11-6-5-7-14-17(11)21-10-23(19(14)25)9-8-15(24)22-18-16(20(26)27-4)12(2)13(3)28-18/h5-7,10H,8-9H2,1-4H3,(H,22,24)
InChIKeySVETZAFIGLJQSI-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.20
Rot. Bonds5

About methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate

methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate (PubChem CID 27146774) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate
PubChem CID27146774
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Namemethyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)CCn2cnc3c(C)cccc3c2=O)sc(C)c1C
InChIInChI=1S/C20H21N3O4S/c1-11-6-5-7-14-17(11)21-10-23(19(14)25)9-8-15(24)22-18-16(20(26)27-4)12(2)13(3)28-18/h5-7,10H,8-9H2,1-4H3,(H,22,24)
InChIKeySVETZAFIGLJQSI-UHFFFAOYSA-N
XLogP3.20
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate
CID 55671104
methyl 5-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate
CID 24555893
methyl 4,5-dimethoxy-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 27133646
N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27134373
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 60524613
N-(5-benzyl-1,3-thiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 17427156
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55662614
N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24559975

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate (CID 27146774) is methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)CCn2cnc3c(C)cccc3c2=O)sc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate?
The InChIKey is SVETZAFIGLJQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-11-6-5-7-14-17(11)21-10-23(19(14)25)9-8-15(24)22-18-16(20(26)27-4)12(2)13(3)28-18/h5-7,10H,8-9H2,1-4H3,(H,22,24).
What are the key properties of methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate has a molecular weight of 399.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 27146774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).