3-methoxy-4H-quinazoline-6-carboxylic acid

C10H10N2O3 — CID 174458208

IUPAC3-methoxy-4H-quinazoline-6-carboxylic acid
SMILESCON1C=Nc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C10H10N2O3/c1-15-12-5-8-4-7(10(13)14)2-3-9(8)11-6-12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeySBQULGRXVYJJJU-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.42
Rot. Bonds2

About 3-methoxy-4H-quinazoline-6-carboxylic acid

3-methoxy-4H-quinazoline-6-carboxylic acid (PubChem CID 174458208) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-methoxy-4H-quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-4H-quinazoline-6-carboxylic acid
PubChem CID174458208
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-methoxy-4H-quinazoline-6-carboxylic acid
SMILESCON1C=Nc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C10H10N2O3/c1-15-12-5-8-4-7(10(13)14)2-3-9(8)11-6-12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeySBQULGRXVYJJJU-UHFFFAOYSA-N
XLogP1.42
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-3-methylbutanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103019250
2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 113363510
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997266
1,2-dimethyl-3H-indazole-5-carboxylic acid
CID 86308105
2-(2-ethoxyacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997130
2-(3-methoxypropyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163455
1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-dicarboxylic acid
CID 11088185
2-(6-amino-4-methylhexanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999431
1-methoxy-2-methylindole-5-carboxylic acid
CID 151729428
2-(3-methoxycyclobutanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 136556441
2-(3-methoxypropylsulfonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997430
2-(3-amino-2-methoxypropanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 106113610

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4H-quinazoline-6-carboxylic acid?
The IUPAC name of 3-methoxy-4H-quinazoline-6-carboxylic acid (CID 174458208) is 3-methoxy-4H-quinazoline-6-carboxylic acid.
What is the SMILES notation for 3-methoxy-4H-quinazoline-6-carboxylic acid?
The canonical SMILES for 3-methoxy-4H-quinazoline-6-carboxylic acid is CON1C=Nc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 3-methoxy-4H-quinazoline-6-carboxylic acid?
The InChIKey is SBQULGRXVYJJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-12-5-8-4-7(10(13)14)2-3-9(8)11-6-12/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 3-methoxy-4H-quinazoline-6-carboxylic acid?
3-methoxy-4H-quinazoline-6-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4H-quinazoline-6-carboxylic acid is sourced from PubChem (CID 174458208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).