4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride

C11H12ClN3O2 — CID 20982517

IUPAC4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride
SMILESCN(C)c1ncnc2cccc(C(=O)O)c12.Cl
InChIInChI=1S/C11H11N3O2.ClH/c1-14(2)10-9-7(11(15)16)4-3-5-8(9)12-6-13-10;/h3-6H,1-2H3,(H,15,16);1H
InChIKeyMYYGIRHQBLWPOF-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.82
Rot. Bonds2

About 4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride

4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride (PubChem CID 20982517) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride
PubChem CID20982517
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride
SMILESCN(C)c1ncnc2cccc(C(=O)O)c12.Cl
InChIInChI=1S/C11H11N3O2.ClH/c1-14(2)10-9-7(11(15)16)4-3-5-8(9)12-6-13-10;/h3-6H,1-2H3,(H,15,16);1H
InChIKeyMYYGIRHQBLWPOF-UHFFFAOYSA-N
XLogP1.82
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride (CID 20982517) is 4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride is CN(C)c1ncnc2cccc(C(=O)O)c12.Cl.
What is the InChIKey of 4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride?
The InChIKey is MYYGIRHQBLWPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2.ClH/c1-14(2)10-9-7(11(15)16)4-3-5-8(9)12-6-13-10;/h3-6H,1-2H3,(H,15,16);1H.
What are the key properties of 4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride?
4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride has a molecular weight of 253.69 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)quinazoline-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 20982517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).