1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid

C14H11ClN4O4 — CID 95928801

IUPAC1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid
SMILESCOc1cc2nc(Cl)nc(-n3ccc(C(=O)O)n3)c2cc1OC
InChIInChI=1S/C14H11ClN4O4/c1-22-10-5-7-9(6-11(10)23-2)16-14(15)17-12(7)19-4-3-8(18-19)13(20)21/h3-6H,1-2H3,(H,20,21)
InChIKeyGVIVGFOHPUPYDQ-UHFFFAOYSA-N
MW334.72 g/mol
LogP2.18
Rot. Bonds4

About 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid

1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid (PubChem CID 95928801) has the molecular formula C14H11ClN4O4 and a molecular weight of 334.72 g/mol. Its IUPAC name is 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid
PubChem CID95928801
Molecular FormulaC14H11ClN4O4
Molecular Weight334.72 g/mol
Exact Mass334.05
IUPAC Name1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid
SMILESCOc1cc2nc(Cl)nc(-n3ccc(C(=O)O)n3)c2cc1OC
InChIInChI=1S/C14H11ClN4O4/c1-22-10-5-7-9(6-11(10)23-2)16-14(15)17-12(7)19-4-3-8(18-19)13(20)21/h3-6H,1-2H3,(H,20,21)
InChIKeyGVIVGFOHPUPYDQ-UHFFFAOYSA-N
XLogP2.18
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid (CID 95928801) is 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid is COc1cc2nc(Cl)nc(-n3ccc(C(=O)O)n3)c2cc1OC.
What is the InChIKey of 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is GVIVGFOHPUPYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O4/c1-22-10-5-7-9(6-11(10)23-2)16-14(15)17-12(7)19-4-3-8(18-19)13(20)21/h3-6H,1-2H3,(H,20,21).
What are the key properties of 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid?
1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 334.72 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 95928801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).