4-(2-acetamidoethylamino)quinoline-2-carboxylic acid

C14H15N3O3 — CID 63373952

IUPAC4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
SMILESCC(=O)NCCNc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H15N3O3/c1-9(18)15-6-7-16-12-8-13(14(19)20)17-11-5-3-2-4-10(11)12/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyWYSSHBHHWODTCL-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.48
Rot. Bonds5

About 4-(2-acetamidoethylamino)quinoline-2-carboxylic acid

4-(2-acetamidoethylamino)quinoline-2-carboxylic acid (PubChem CID 63373952) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(2-acetamidoethylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
PubChem CID63373952
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
SMILESCC(=O)NCCNc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H15N3O3/c1-9(18)15-6-7-16-12-8-13(14(19)20)17-11-5-3-2-4-10(11)12/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyWYSSHBHHWODTCL-UHFFFAOYSA-N
XLogP1.48
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
4-(2-ethoxyethylamino)quinoline-2-carboxylic acid
CID 55183063
4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid
CID 114468112
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
CID 63377479
4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
CID 55185061
4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
CID 63377476
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
CID 106293362
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid
CID 63377382
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
CID 63377198

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(2-acetamidoethylamino)quinoline-2-carboxylic acid (CID 63373952) is 4-(2-acetamidoethylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-acetamidoethylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-acetamidoethylamino)quinoline-2-carboxylic acid is CC(=O)NCCNc1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(2-acetamidoethylamino)quinoline-2-carboxylic acid?
The InChIKey is WYSSHBHHWODTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(18)15-6-7-16-12-8-13(14(19)20)17-11-5-3-2-4-10(11)12/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 4-(2-acetamidoethylamino)quinoline-2-carboxylic acid?
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 63373952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).