4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid

C15H17N3O3 — CID 64895232

IUPAC4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
SMILESCc1ccc(NC(=O)C(N)CCC(=O)O)c2cccnc12
InChIInChI=1S/C15H17N3O3/c1-9-4-6-12(10-3-2-8-17-14(9)10)18-15(21)11(16)5-7-13(19)20/h2-4,6,8,11H,5,7,16H2,1H3,(H,18,21)(H,19,20)
InChIKeyZFEUBEWLFQUNPI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.67
Rot. Bonds5

About 4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid

4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid (PubChem CID 64895232) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
PubChem CID64895232
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
SMILESCc1ccc(NC(=O)C(N)CCC(=O)O)c2cccnc12
InChIInChI=1S/C15H17N3O3/c1-9-4-6-12(10-3-2-8-17-14(9)10)18-15(21)11(16)5-7-13(19)20/h2-4,6,8,11H,5,7,16H2,1H3,(H,18,21)(H,19,20)
InChIKeyZFEUBEWLFQUNPI-UHFFFAOYSA-N
XLogP1.67
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid (CID 64895232) is 4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid is Cc1ccc(NC(=O)C(N)CCC(=O)O)c2cccnc12.
What is the InChIKey of 4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid?
The InChIKey is ZFEUBEWLFQUNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-4-6-12(10-3-2-8-17-14(9)10)18-15(21)11(16)5-7-13(19)20/h2-4,6,8,11H,5,7,16H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid?
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64895232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).