4-amino-6-phenoxyquinoline-3-carboxylic acid

C16H12N2O3 — CID 54588448

IUPAC4-amino-6-phenoxyquinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)cnc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C16H12N2O3/c17-15-12-8-11(21-10-4-2-1-3-5-10)6-7-14(12)18-9-13(15)16(19)20/h1-9H,(H2,17,18)(H,19,20)
InChIKeyBJROPOJHAXKHMZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.31
Rot. Bonds3

About 4-amino-6-phenoxyquinoline-3-carboxylic acid

4-amino-6-phenoxyquinoline-3-carboxylic acid (PubChem CID 54588448) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-amino-6-phenoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-phenoxyquinoline-3-carboxylic acid
PubChem CID54588448
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name4-amino-6-phenoxyquinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)cnc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C16H12N2O3/c17-15-12-8-11(21-10-4-2-1-3-5-10)6-7-14(12)18-9-13(15)16(19)20/h1-9H,(H2,17,18)(H,19,20)
InChIKeyBJROPOJHAXKHMZ-UHFFFAOYSA-N
XLogP3.31
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid
CID 16779821
4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
CID 73012700
4-amino-6-bromoquinoline-3-carboxylic acid
CID 46397798
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
4-amino-7-ethoxyquinoline-3-carboxylic acid
CID 66487246
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
CID 1188199
4-(4-chlorophenoxy)quinoline-3-carboxylic acid
CID 61339884
methyl 4-amino-6-phenylquinoline-3-carboxylate
CID 102614814
6-phenoxyquinazolin-2-amine
CID 151514344
2-(4-aminoquinolin-3-yl)-2-(3-phenoxyphenyl)acetamide
CID 163399794
ethyl 4-[3-(dimethylamino)propylamino]-6-phenoxyquinoline-3-carboxylate
CID 172914482
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-phenoxyquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-6-phenoxyquinoline-3-carboxylic acid (CID 54588448) is 4-amino-6-phenoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-phenoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-6-phenoxyquinoline-3-carboxylic acid is Nc1c(C(=O)O)cnc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 4-amino-6-phenoxyquinoline-3-carboxylic acid?
The InChIKey is BJROPOJHAXKHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-15-12-8-11(21-10-4-2-1-3-5-10)6-7-14(12)18-9-13(15)16(19)20/h1-9H,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-6-phenoxyquinoline-3-carboxylic acid?
4-amino-6-phenoxyquinoline-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-phenoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 54588448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).