2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid

C15H13N3O2S — CID 91964438

IUPAC2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C15H13N3O2S/c1-18(9-13(19)20)15-10-5-2-3-6-11(10)16-14(17-15)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,19,20)
InChIKeyPJHVEYLXNXMSST-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.88
Rot. Bonds4

About 2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid

2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid (PubChem CID 91964438) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid
PubChem CID91964438
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C15H13N3O2S/c1-18(9-13(19)20)15-10-5-2-3-6-11(10)16-14(17-15)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,19,20)
InChIKeyPJHVEYLXNXMSST-UHFFFAOYSA-N
XLogP2.88
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid (CID 91964438) is 2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid is CN(CC(=O)O)c1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid?
The InChIKey is PJHVEYLXNXMSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-18(9-13(19)20)15-10-5-2-3-6-11(10)16-14(17-15)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid?
2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid has a molecular weight of 299.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid is sourced from PubChem (CID 91964438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).