(2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid

C12H12FN3O3 — CID 122049877

IUPAC(2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
SMILESCOc1ccc2c(N[C@H](C)C(=O)O)ncnc2c1F
InChIInChI=1S/C12H12FN3O3/c1-6(12(17)18)16-11-7-3-4-8(19-2)9(13)10(7)14-5-15-11/h3-6H,1-2H3,(H,17,18)(H,14,15,16)/t6-/m1/s1
InChIKeyHSBZKHIZYAEPRR-ZCFIWIBFSA-N
MW265.24 g/mol
LogP1.66
Rot. Bonds4

About (2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid

(2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid (PubChem CID 122049877) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is (2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
PubChem CID122049877
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name(2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
SMILESCOc1ccc2c(N[C@H](C)C(=O)O)ncnc2c1F
InChIInChI=1S/C12H12FN3O3/c1-6(12(17)18)16-11-7-3-4-8(19-2)9(13)10(7)14-5-15-11/h3-6H,1-2H3,(H,17,18)(H,14,15,16)/t6-/m1/s1
InChIKeyHSBZKHIZYAEPRR-ZCFIWIBFSA-N
XLogP1.66
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
CID 122048149
2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid
CID 151164721
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine
CID 155122341
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate
CID 7174370
2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid
CID 83619941
2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid
CID 82045378
2-[(5-bromopyrimidin-4-yl)amino]propanoic acid
CID 83843664
8-fluoro-7-methoxy-3H-quinazolin-4-one
CID 136983588
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid (CID 122049877) is (2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid is COc1ccc2c(N[C@H](C)C(=O)O)ncnc2c1F.
What is the InChIKey of (2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid?
The InChIKey is HSBZKHIZYAEPRR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-6(12(17)18)16-11-7-3-4-8(19-2)9(13)10(7)14-5-15-11/h3-6H,1-2H3,(H,17,18)(H,14,15,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid?
(2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid has a molecular weight of 265.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122049877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).