4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid

C12H12ClN3O2 — CID 14012297

IUPAC4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid
SMILESCCCc1c(Cl)ccc2c(N)c(C(=O)O)nnc12
InChIInChI=1S/C12H12ClN3O2/c1-2-3-6-8(13)5-4-7-9(14)11(12(17)18)16-15-10(6)7/h4-5H,2-3H2,1H3,(H2,14,15)(H,17,18)
InChIKeyDRAWJBSVOJBZTF-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.52
Rot. Bonds3

About 4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid

4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid (PubChem CID 14012297) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid
PubChem CID14012297
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid
SMILESCCCc1c(Cl)ccc2c(N)c(C(=O)O)nnc12
InChIInChI=1S/C12H12ClN3O2/c1-2-3-6-8(13)5-4-7-9(14)11(12(17)18)16-15-10(6)7/h4-5H,2-3H2,1H3,(H2,14,15)(H,17,18)
InChIKeyDRAWJBSVOJBZTF-UHFFFAOYSA-N
XLogP2.52
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid?
The IUPAC name of 4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid (CID 14012297) is 4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid?
The canonical SMILES for 4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid is CCCc1c(Cl)ccc2c(N)c(C(=O)O)nnc12.
What is the InChIKey of 4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid?
The InChIKey is DRAWJBSVOJBZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-3-6-8(13)5-4-7-9(14)11(12(17)18)16-15-10(6)7/h4-5H,2-3H2,1H3,(H2,14,15)(H,17,18).
What are the key properties of 4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid?
4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid has a molecular weight of 265.70 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-8-propylcinnoline-3-carboxylic acid is sourced from PubChem (CID 14012297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).