(4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

C20H16N4O4S — CID 35783708

IUPAC(4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1nc(N)c2ccccc2n1
InChIInChI=1S/C20H16N4O4S/c1-11-9-16(24-19(25)14-7-4-8-27-14)29-17(11)20(26)28-10-15-22-13-6-3-2-5-12(13)18(21)23-15/h2-9H,10H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyOTUHKXQDZUYCKR-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.78
Rot. Bonds5

About (4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

(4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 35783708) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
PubChem CID35783708
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC Name(4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1nc(N)c2ccccc2n1
InChIInChI=1S/C20H16N4O4S/c1-11-9-16(24-19(25)14-7-4-8-27-14)29-17(11)20(26)28-10-15-22-13-6-3-2-5-12(13)18(21)23-15/h2-9H,10H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyOTUHKXQDZUYCKR-UHFFFAOYSA-N
XLogP3.78
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55495739
[2-oxo-2-(prop-2-enylamino)ethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 17404648
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 38374216
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55521763
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920
N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33318793
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55490857
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 46679403
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55490863
N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 55488982
2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid
CID 120702247

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate (CID 35783708) is (4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate is Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1nc(N)c2ccccc2n1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is OTUHKXQDZUYCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S/c1-11-9-16(24-19(25)14-7-4-8-27-14)29-17(11)20(26)28-10-15-22-13-6-3-2-5-12(13)18(21)23-15/h2-9H,10H2,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
(4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 408.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 35783708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).