methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate

C16H15N3O2S — CID 71902211

IUPACmethyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C16H15N3O2S/c1-21-14(20)6-8-17-16-12-4-2-3-5-13(12)18-15(19-16)11-7-9-22-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,17,18,19)
InChIKeySFEQWZUMTMURLN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.33
Rot. Bonds5

About methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate

methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate (PubChem CID 71902211) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
PubChem CID71902211
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Namemethyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C16H15N3O2S/c1-21-14(20)6-8-17-16-12-4-2-3-5-13(12)18-15(19-16)11-7-9-22-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,17,18,19)
InChIKeySFEQWZUMTMURLN-UHFFFAOYSA-N
XLogP3.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate with MolForge

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Related Compounds

N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
CID 78805402
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
CID 24632870
N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 49430506
methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
CID 80797515
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
N-pyridin-2-yl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 133367580
N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
CID 60507418
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine
CID 36834207
N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
CID 49430846
2-(furan-2-yl)-1-[(2-thiophen-3-ylquinazolin-4-yl)amino]propan-2-ol
CID 133323931
5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453486

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate (CID 71902211) is methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate is COC(=O)CCNc1nc(-c2ccsc2)nc2ccccc12.
What is the InChIKey of methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate?
The InChIKey is SFEQWZUMTMURLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-21-14(20)6-8-17-16-12-4-2-3-5-13(12)18-15(19-16)11-7-9-22-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,17,18,19).
What are the key properties of methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate?
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate has a molecular weight of 313.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate is sourced from PubChem (CID 71902211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).