2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid

C12H12N2O3 — CID 84795271

IUPAC2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid
SMILESCOc1nc(CC(=O)O)nc2ccc(C)cc12
InChIInChI=1S/C12H12N2O3/c1-7-3-4-9-8(5-7)12(17-2)14-10(13-9)6-11(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyDQAIOENMYPXCKD-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.57
Rot. Bonds3

About 2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid

2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid (PubChem CID 84795271) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid
PubChem CID84795271
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid
SMILESCOc1nc(CC(=O)O)nc2ccc(C)cc12
InChIInChI=1S/C12H12N2O3/c1-7-3-4-9-8(5-7)12(17-2)14-10(13-9)6-11(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyDQAIOENMYPXCKD-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
2-(5-methyl-2,1-benzoxazol-3-yl)acetic acid
CID 105444721
2-(4-chloro-6-methylquinolin-3-yl)acetic acid
CID 84699091
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
2-(2,3-dimethoxy-6-methylphenanthren-9-yl)acetic acid
CID 175191408
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid
CID 91217663
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826
2-(2,6-dimethylquinolin-4-yl)acetamide
CID 82575379
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine
CID 84815598
2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 106792870

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid (CID 84795271) is 2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid is COc1nc(CC(=O)O)nc2ccc(C)cc12.
What is the InChIKey of 2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid?
The InChIKey is DQAIOENMYPXCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-3-4-9-8(5-7)12(17-2)14-10(13-9)6-11(15)16/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid?
2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid has a molecular weight of 232.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid is sourced from PubChem (CID 84795271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).