3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid

C12H12FN3O3 — CID 122048149

IUPAC3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
SMILESCOc1ccc2c(NCCC(=O)O)ncnc2c1F
InChIInChI=1S/C12H12FN3O3/c1-19-8-3-2-7-11(10(8)13)15-6-16-12(7)14-5-4-9(17)18/h2-3,6H,4-5H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyWCTNSCUOGNKRSA-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.66
Rot. Bonds5

About 3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid

3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid (PubChem CID 122048149) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
PubChem CID122048149
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
SMILESCOc1ccc2c(NCCC(=O)O)ncnc2c1F
InChIInChI=1S/C12H12FN3O3/c1-19-8-3-2-7-11(10(8)13)15-6-16-12(7)14-5-4-9(17)18/h2-3,6H,4-5H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyWCTNSCUOGNKRSA-UHFFFAOYSA-N
XLogP1.66
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
CID 122049877
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
4-[(8-fluoroquinazolin-4-yl)amino]butanoic acid
CID 122058507
N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431423
N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431413
3-(3-ethyl-4-methoxyanilino)propanoic acid
CID 98783832
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28841900
3-[(9-methylpurin-6-yl)amino]propanoic acid
CID 14161254
N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796736
N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437187
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266

Frequently Asked Questions

What is the IUPAC name of 3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid (CID 122048149) is 3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid is COc1ccc2c(NCCC(=O)O)ncnc2c1F.
What is the InChIKey of 3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid?
The InChIKey is WCTNSCUOGNKRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-19-8-3-2-7-11(10(8)13)15-6-16-12(7)14-5-4-9(17)18/h2-3,6H,4-5H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid?
3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid has a molecular weight of 265.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122048149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).