3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride

C12H14ClN3O2 — CID 2790069

IUPAC3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
SMILESCc1ccc2ncnc(NCCC(=O)O)c2c1.Cl
InChIInChI=1S/C12H13N3O2.ClH/c1-8-2-3-10-9(6-8)12(15-7-14-10)13-5-4-11(16)17;/h2-3,6-7H,4-5H2,1H3,(H,16,17)(H,13,14,15);1H
InChIKeyLNXPQPMHSDRZAS-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.25
Rot. Bonds4

About 3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride

3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride (PubChem CID 2790069) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
PubChem CID2790069
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
SMILESCc1ccc2ncnc(NCCC(=O)O)c2c1.Cl
InChIInChI=1S/C12H13N3O2.ClH/c1-8-2-3-10-9(6-8)12(15-7-14-10)13-5-4-11(16)17;/h2-3,6-7H,4-5H2,1H3,(H,16,17)(H,13,14,15);1H
InChIKeyLNXPQPMHSDRZAS-UHFFFAOYSA-N
XLogP2.25
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride?
The IUPAC name of 3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride (CID 2790069) is 3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride is Cc1ccc2ncnc(NCCC(=O)O)c2c1.Cl.
What is the InChIKey of 3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride?
The InChIKey is LNXPQPMHSDRZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.ClH/c1-8-2-3-10-9(6-8)12(15-7-14-10)13-5-4-11(16)17;/h2-3,6-7H,4-5H2,1H3,(H,16,17)(H,13,14,15);1H.
What are the key properties of 3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride?
3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride has a molecular weight of 267.72 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 2790069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).