2-(7-methoxyquinazolin-4-yl)propanoic acid

C12H12N2O3 — CID 105490596

IUPAC2-(7-methoxyquinazolin-4-yl)propanoic acid
SMILESCOc1ccc2c(C(C)C(=O)O)ncnc2c1
InChIInChI=1S/C12H12N2O3/c1-7(12(15)16)11-9-4-3-8(17-2)5-10(9)13-6-14-11/h3-7H,1-2H3,(H,15,16)
InChIKeyCMJNCDGBSMPQHS-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.83
Rot. Bonds3

About 2-(7-methoxyquinazolin-4-yl)propanoic acid

2-(7-methoxyquinazolin-4-yl)propanoic acid (PubChem CID 105490596) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(7-methoxyquinazolin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-methoxyquinazolin-4-yl)propanoic acid
PubChem CID105490596
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(7-methoxyquinazolin-4-yl)propanoic acid
SMILESCOc1ccc2c(C(C)C(=O)O)ncnc2c1
InChIInChI=1S/C12H12N2O3/c1-7(12(15)16)11-9-4-3-8(17-2)5-10(9)13-6-14-11/h3-7H,1-2H3,(H,15,16)
InChIKeyCMJNCDGBSMPQHS-UHFFFAOYSA-N
XLogP1.83
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-chloroquinazolin-4-yl)propanoic acid
CID 105498337
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid
CID 21003137
7-methoxyquinazoline-4-carbaldehyde
CID 105442986
2-(7-methoxy-4-oxo-3H-quinazolin-2-yl)propanoic acid
CID 136918100
3-(7-methoxyquinazolin-4-yl)sulfanylpropanoic acid
CID 21003198
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid
CID 57363629
(7-methoxyquinazolin-4-yl)methanamine
CID 105443558
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
CID 131855492
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
3-(6-methoxy-2,1-benzoxazol-3-yl)-2-methylpropanoic acid
CID 105495901

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyquinazolin-4-yl)propanoic acid?
The IUPAC name of 2-(7-methoxyquinazolin-4-yl)propanoic acid (CID 105490596) is 2-(7-methoxyquinazolin-4-yl)propanoic acid.
What is the SMILES notation for 2-(7-methoxyquinazolin-4-yl)propanoic acid?
The canonical SMILES for 2-(7-methoxyquinazolin-4-yl)propanoic acid is COc1ccc2c(C(C)C(=O)O)ncnc2c1.
What is the InChIKey of 2-(7-methoxyquinazolin-4-yl)propanoic acid?
The InChIKey is CMJNCDGBSMPQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7(12(15)16)11-9-4-3-8(17-2)5-10(9)13-6-14-11/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-(7-methoxyquinazolin-4-yl)propanoic acid?
2-(7-methoxyquinazolin-4-yl)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyquinazolin-4-yl)propanoic acid is sourced from PubChem (CID 105490596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).