2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride

C12H14ClN3O2 — CID 18558605

IUPAC2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
SMILESCc1ccc2ncnc(NC(C)C(=O)O)c2c1.Cl
InChIInChI=1S/C12H13N3O2.ClH/c1-7-3-4-10-9(5-7)11(14-6-13-10)15-8(2)12(16)17;/h3-6,8H,1-2H3,(H,16,17)(H,13,14,15);1H
InChIKeyDEKCXBGVNGTROS-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.25
Rot. Bonds3

About 2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride

2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride (PubChem CID 18558605) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
PubChem CID18558605
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
SMILESCc1ccc2ncnc(NC(C)C(=O)O)c2c1.Cl
InChIInChI=1S/C12H13N3O2.ClH/c1-7-3-4-10-9(5-7)11(14-6-13-10)15-8(2)12(16)17;/h3-6,8H,1-2H3,(H,16,17)(H,13,14,15);1H
InChIKeyDEKCXBGVNGTROS-UHFFFAOYSA-N
XLogP2.25
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride (CID 18558605) is 2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride is Cc1ccc2ncnc(NC(C)C(=O)O)c2c1.Cl.
What is the InChIKey of 2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride?
The InChIKey is DEKCXBGVNGTROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.ClH/c1-7-3-4-10-9(5-7)11(14-6-13-10)15-8(2)12(16)17;/h3-6,8H,1-2H3,(H,16,17)(H,13,14,15);1H.
What are the key properties of 2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride?
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride has a molecular weight of 267.72 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 18558605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).