4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid

C15H17N3O3 — CID 64894250

IUPAC4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
SMILESCc1cc(NC(=O)C(N)CCC(=O)O)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c1-9-8-13(10-4-2-3-5-12(10)17-9)18-15(21)11(16)6-7-14(19)20/h2-5,8,11H,6-7,16H2,1H3,(H,19,20)(H,17,18,21)
InChIKeyLSOQPJMYZLBJJI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.67
Rot. Bonds5

About 4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid

4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid (PubChem CID 64894250) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
PubChem CID64894250
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
SMILESCc1cc(NC(=O)C(N)CCC(=O)O)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c1-9-8-13(10-4-2-3-5-12(10)17-9)18-15(21)11(16)6-7-14(19)20/h2-5,8,11H,6-7,16H2,1H3,(H,19,20)(H,17,18,21)
InChIKeyLSOQPJMYZLBJJI-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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Related Compounds

(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylquinolin-4-yl)butanamide
CID 23886100
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 62041805
4-amino-5-(2,1,3-benzoselenadiazol-4-ylamino)-5-oxopentanoic acid
CID 64895809
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
CID 62833896

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid (CID 64894250) is 4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid is Cc1cc(NC(=O)C(N)CCC(=O)O)c2ccccc2n1.
What is the InChIKey of 4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid?
The InChIKey is LSOQPJMYZLBJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-8-13(10-4-2-3-5-12(10)17-9)18-15(21)11(16)6-7-14(19)20/h2-5,8,11H,6-7,16H2,1H3,(H,19,20)(H,17,18,21).
What are the key properties of 4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid?
4-amino-5-[(2-methylquinolin-4-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-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64894250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).