3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid

C17H13ClN2O4 — CID 169304234

IUPAC3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid
SMILESCOc1cc2c(Oc3cc(C(=O)O)ccc3C)ncnc2cc1Cl
InChIInChI=1S/C17H13ClN2O4/c1-9-3-4-10(17(21)22)5-14(9)24-16-11-6-15(23-2)12(18)7-13(11)19-8-20-16/h3-8H,1-2H3,(H,21,22)
InChIKeyDRNDUOYZWOGRHH-UHFFFAOYSA-N
MW344.75 g/mol
LogP4.09
Rot. Bonds4

About 3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid

3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid (PubChem CID 169304234) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid
PubChem CID169304234
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid
SMILESCOc1cc2c(Oc3cc(C(=O)O)ccc3C)ncnc2cc1Cl
InChIInChI=1S/C17H13ClN2O4/c1-9-3-4-10(17(21)22)5-14(9)24-16-11-6-15(23-2)12(18)7-13(11)19-8-20-16/h3-8H,1-2H3,(H,21,22)
InChIKeyDRNDUOYZWOGRHH-UHFFFAOYSA-N
XLogP4.09
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623
3-(4-chloro-2,6-dimethylphenoxy)-4-methylbenzoic acid
CID 105405731
4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid
CID 61396222
4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid
CID 83063808
(E)-3-[4-(4-chloro-2-fluorophenoxy)-6-methoxyquinazolin-7-yl]prop-2-enoic acid
CID 22030956
3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid
CID 61396298
3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311939
5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid
CID 147510132
2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid
CID 95481855
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
3-(5-fluoropyrimidin-2-yl)oxy-4-methylbenzoic acid
CID 113432161

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid?
The IUPAC name of 3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid (CID 169304234) is 3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid.
What is the SMILES notation for 3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid?
The canonical SMILES for 3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid is COc1cc2c(Oc3cc(C(=O)O)ccc3C)ncnc2cc1Cl.
What is the InChIKey of 3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid?
The InChIKey is DRNDUOYZWOGRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-9-3-4-10(17(21)22)5-14(9)24-16-11-6-15(23-2)12(18)7-13(11)19-8-20-16/h3-8H,1-2H3,(H,21,22).
What are the key properties of 3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid?
3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid has a molecular weight of 344.75 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid is sourced from PubChem (CID 169304234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).