4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride

C14H14ClN3O4 — CID 20982587

IUPAC4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(N3CCCC3C(=O)O)ncnc2c1
InChIInChI=1S/C14H13N3O4.ClH/c18-13(19)8-3-4-9-10(6-8)15-7-16-12(9)17-5-1-2-11(17)14(20)21;/h3-4,6-7,11H,1-2,5H2,(H,18,19)(H,20,21);1H
InChIKeyRZNGYWPEMRKFDH-UHFFFAOYSA-N
MW323.74 g/mol
LogP1.80
Rot. Bonds3

About 4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride

4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride (PubChem CID 20982587) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is 4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
PubChem CID20982587
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC Name4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(N3CCCC3C(=O)O)ncnc2c1
InChIInChI=1S/C14H13N3O4.ClH/c18-13(19)8-3-4-9-10(6-8)15-7-16-12(9)17-5-1-2-11(17)14(20)21;/h3-4,6-7,11H,1-2,5H2,(H,18,19)(H,20,21);1H
InChIKeyRZNGYWPEMRKFDH-UHFFFAOYSA-N
XLogP1.80
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride?
The IUPAC name of 4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride (CID 20982587) is 4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(N3CCCC3C(=O)O)ncnc2c1.
What is the InChIKey of 4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride?
The InChIKey is RZNGYWPEMRKFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4.ClH/c18-13(19)8-3-4-9-10(6-8)15-7-16-12(9)17-5-1-2-11(17)14(20)21;/h3-4,6-7,11H,1-2,5H2,(H,18,19)(H,20,21);1H.
What are the key properties of 4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride?
4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride has a molecular weight of 323.74 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 20982587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).