4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid

C14H17N3O3 — CID 64604272

IUPAC4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid
SMILESCOCCC(C)Nc1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9(7-8-20-2)15-12-10-5-3-4-6-11(10)16-17-13(12)14(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyQCOLNKHZGXZGNL-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.16
Rot. Bonds6

About 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid

4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid (PubChem CID 64604272) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid
PubChem CID64604272
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid
SMILESCOCCC(C)Nc1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9(7-8-20-2)15-12-10-5-3-4-6-11(10)16-17-13(12)14(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyQCOLNKHZGXZGNL-UHFFFAOYSA-N
XLogP2.16
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid (CID 64604272) is 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid is COCCC(C)Nc1c(C(=O)O)nnc2ccccc12.
What is the InChIKey of 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid?
The InChIKey is QCOLNKHZGXZGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(7-8-20-2)15-12-10-5-3-4-6-11(10)16-17-13(12)14(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid?
4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid is sourced from PubChem (CID 64604272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).