2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid

C15H14N2O2 — CID 79284539

IUPAC2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)Cc1ccnc2ccccc12
InChIInChI=1S/C15H14N2O2/c1-2-9-17(11-15(18)19)10-12-7-8-16-14-6-4-3-5-13(12)14/h1,3-8H,9-11H2,(H,18,19)
InChIKeyFFIHQGKAWGMHJI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.75
Rot. Bonds5

About 2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid

2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid (PubChem CID 79284539) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid
PubChem CID79284539
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)Cc1ccnc2ccccc12
InChIInChI=1S/C15H14N2O2/c1-2-9-17(11-15(18)19)10-12-7-8-16-14-6-4-3-5-13(12)14/h1,3-8H,9-11H2,(H,18,19)
InChIKeyFFIHQGKAWGMHJI-UHFFFAOYSA-N
XLogP1.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
2-[1-benzothiophen-3-ylmethyl(prop-2-ynyl)amino]acetic acid
CID 79284223
2-[(2-methoxyphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79274704
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
2-[(1-methylindazol-3-yl)methyl-prop-2-ynylamino]acetic acid
CID 79273409
4-[amino(quinolin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 174299546
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-ynylamino]acetic acid
CID 79284633
2-[prop-2-ynyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 79274079
1-quinolin-4-ylbutan-2-one
CID 15695851
2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid
CID 79283098
2-[(4-bromo-2-fluorophenyl)methyl-prop-2-ynylamino]acetic acid
CID 79283008

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid (CID 79284539) is 2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid is C#CCN(CC(=O)O)Cc1ccnc2ccccc12.
What is the InChIKey of 2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid?
The InChIKey is FFIHQGKAWGMHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-9-17(11-15(18)19)10-12-7-8-16-14-6-4-3-5-13(12)14/h1,3-8H,9-11H2,(H,18,19).
What are the key properties of 2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid?
2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid is sourced from PubChem (CID 79284539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).