4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid

C19H25N3O4 — CID 58748659

IUPAC4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid
SMILESCC(C)N1C(=O)CN(C(=O)CNC2CCCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C19H25N3O4/c1-12(2)22-15-8-7-13(19(25)26)9-16(15)21(11-18(22)24)17(23)10-20-14-5-3-4-6-14/h7-9,12,14,20H,3-6,10-11H2,1-2H3,(H,25,26)
InChIKeyCCKNYMASDBYUQJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.01
Rot. Bonds5

About 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid

4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid (PubChem CID 58748659) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid
PubChem CID58748659
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid
SMILESCC(C)N1C(=O)CN(C(=O)CNC2CCCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C19H25N3O4/c1-12(2)22-15-8-7-13(19(25)26)9-16(15)21(11-18(22)24)17(23)10-20-14-5-3-4-6-14/h7-9,12,14,20H,3-6,10-11H2,1-2H3,(H,25,26)
InChIKeyCCKNYMASDBYUQJ-UHFFFAOYSA-N
XLogP2.01
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-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

Related Compounds

CID 444508
CID 444508
CID 808767
CID 808767
CID 4054533
CID 4054533
CID 146027003
CID 146027003
CID 1708
CID 1708
CID 449034
CID 449034
CID 446367
CID 446367
CID 1883477
CID 1883477
CID 655553
CID 655553
CID 789800
CID 789800
CID 49783010
CID 49783010
CID 738878
CID 738878

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid?
The IUPAC name of 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid (CID 58748659) is 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid is CC(C)N1C(=O)CN(C(=O)CNC2CCCC2)c2cc(C(=O)O)ccc21.
What is the InChIKey of 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid?
The InChIKey is CCKNYMASDBYUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12(2)22-15-8-7-13(19(25)26)9-16(15)21(11-18(22)24)17(23)10-20-14-5-3-4-6-14/h7-9,12,14,20H,3-6,10-11H2,1-2H3,(H,25,26).
What are the key properties of 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid?
4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 58748659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).