2-[(2-methylquinolin-4-yl)amino]pentanoic acid

C15H18N2O2 — CID 43631351

IUPAC2-[(2-methylquinolin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(C)nc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-3-6-13(15(18)19)17-14-9-10(2)16-12-8-5-4-7-11(12)14/h4-5,7-9,13H,3,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCOFDJLLLXJGHLO-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.21
Rot. Bonds5

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

2-[(2-methylquinolin-4-yl)amino]pentanoic acid (PubChem CID 43631351) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(2-methylquinolin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-methylquinolin-4-yl)amino]pentanoic acid
PubChem CID43631351
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[(2-methylquinolin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(C)nc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-3-6-13(15(18)19)17-14-9-10(2)16-12-8-5-4-7-11(12)14/h4-5,7-9,13H,3,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCOFDJLLLXJGHLO-UHFFFAOYSA-N
XLogP3.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid
CID 55107861
2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
CID 22693080
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid
CID 122060479
2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284526
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
CID 106345922
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
2-[(4-methylphthalazin-1-yl)amino]pentanoic acid
CID 43631341
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-[(2-methylquinolin-4-yl)amino]pentanoic acid (CID 43631351) is 2-[(2-methylquinolin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-methylquinolin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-methylquinolin-4-yl)amino]pentanoic acid is CCCC(Nc1cc(C)nc2ccccc12)C(=O)O.
What is the InChIKey of 2-[(2-methylquinolin-4-yl)amino]pentanoic acid?
The InChIKey is COFDJLLLXJGHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-6-13(15(18)19)17-14-9-10(2)16-12-8-5-4-7-11(12)14/h4-5,7-9,13H,3,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-methylquinolin-4-yl)amino]pentanoic acid?
2-[(2-methylquinolin-4-yl)amino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 43631351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).