8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid

C18H17N3O2 — CID 22238992

IUPAC8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid
SMILESNc1cccc2c(NCCc3ccccc3)c(C(=O)O)cnc12
InChIInChI=1S/C18H17N3O2/c19-15-8-4-7-13-16(14(18(22)23)11-21-17(13)15)20-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10,19H2,(H,20,21)(H,22,23)
InChIKeyMZJGXVMCHPAZHA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.17
Rot. Bonds5

About 8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid

8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid (PubChem CID 22238992) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid
PubChem CID22238992
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid
SMILESNc1cccc2c(NCCc3ccccc3)c(C(=O)O)cnc12
InChIInChI=1S/C18H17N3O2/c19-15-8-4-7-13-16(14(18(22)23)11-21-17(13)15)20-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10,19H2,(H,20,21)(H,22,23)
InChIKeyMZJGXVMCHPAZHA-UHFFFAOYSA-N
XLogP3.17
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid
CID 2241674
ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
CID 10066474
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
3-amino-2-(3-phenylpropylamino)benzoic acid
CID 115934219
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzoic acid
CID 112579297
3-amino-2-(2-aminoethylamino)benzoic acid
CID 2771662
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
CID 106400814
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 10247376
ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate
CID 10068907
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid (CID 22238992) is 8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid is Nc1cccc2c(NCCc3ccccc3)c(C(=O)O)cnc12.
What is the InChIKey of 8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid?
The InChIKey is MZJGXVMCHPAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-15-8-4-7-13-16(14(18(22)23)11-21-17(13)15)20-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10,19H2,(H,20,21)(H,22,23).
What are the key properties of 8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid?
8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 22238992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).