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

C11H10N2O3 — CID 105471989

IUPAC2-(7-methoxyquinazolin-4-yl)acetic acid
SMILESCOc1ccc2c(CC(=O)O)ncnc2c1
InChIInChI=1S/C11H10N2O3/c1-16-7-2-3-8-9(4-7)12-6-13-10(8)5-11(14)15/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyQSCBZNPBEGZBSF-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.27
Rot. Bonds3

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

2-(7-methoxyquinazolin-4-yl)acetic acid (PubChem CID 105471989) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(7-methoxyquinazolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxyquinazolin-4-yl)acetic acid
PubChem CID105471989
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(7-methoxyquinazolin-4-yl)acetic acid
SMILESCOc1ccc2c(CC(=O)O)ncnc2c1
InChIInChI=1S/C11H10N2O3/c1-16-7-2-3-8-9(4-7)12-6-13-10(8)5-11(14)15/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyQSCBZNPBEGZBSF-UHFFFAOYSA-N
XLogP1.27
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methoxyquinazolin-4-yl)methanamine
CID 105443558
3-(7-methoxyquinazolin-4-yl)sulfanylpropanoic acid
CID 21003198
2-(7-methoxyquinazolin-4-yl)propanoic acid
CID 105490596
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
7-methoxyquinazoline-4-carbaldehyde
CID 105442986
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid
CID 21003137
N-hydroxy-2-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 172991562
2-(6-methoxyquinazolin-4-yl)ethanamine
CID 105455353
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923
2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid
CID 20525674

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyquinazolin-4-yl)acetic acid?
The IUPAC name of 2-(7-methoxyquinazolin-4-yl)acetic acid (CID 105471989) is 2-(7-methoxyquinazolin-4-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxyquinazolin-4-yl)acetic acid?
The canonical SMILES for 2-(7-methoxyquinazolin-4-yl)acetic acid is COc1ccc2c(CC(=O)O)ncnc2c1.
What is the InChIKey of 2-(7-methoxyquinazolin-4-yl)acetic acid?
The InChIKey is QSCBZNPBEGZBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-7-2-3-8-9(4-7)12-6-13-10(8)5-11(14)15/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 2-(7-methoxyquinazolin-4-yl)acetic acid?
2-(7-methoxyquinazolin-4-yl)acetic acid has a molecular weight of 218.21 g/mol, XLogP of 1.27, 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)acetic acid is sourced from PubChem (CID 105471989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).