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

C13H15N3O3 — CID 102322894

IUPAC8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid
SMILESNCCCOc1cc(C(=O)O)nc2c(N)cccc12
InChIInChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18)
InChIKeyQGMHWPPZJKLYHR-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.24
Rot. Bonds5

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

8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid (PubChem CID 102322894) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid
PubChem CID102322894
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid
SMILESNCCCOc1cc(C(=O)O)nc2c(N)cccc12
InChIInChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18)
InChIKeyQGMHWPPZJKLYHR-UHFFFAOYSA-N
XLogP1.24
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-2-quinolinecarboxylic acid
CID 594596
8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline-2-carboxylic acid
CID 134143679
4-Methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850
3-(2-Quinolinylmethoxy)benzoic acid
CID 14774173
6-methoxyquinoline-2-carboxylic Acid
CID 11183298
6-Methoxy-8-nitro-2-quinoline carboxylic acid
CID 265987
6-Amino-4-methoxyquinoline-2-carboxylic acid
CID 10798845
4-Methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid
CID 10806772
8-aminoquinoline-2-carboxylic Acid
CID 917054
4-Carboxymethyloxy-2-quinolinecarboxylic acid
CID 9859706
8-Hydroxy-4-methoxy-2-quinolinecarboxylic acid
CID 46910770
Methyl 4-methoxyquinoline-2-carboxylate
CID 523521

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid?
The IUPAC name of 8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid (CID 102322894) is 8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid?
The canonical SMILES for 8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid is NCCCOc1cc(C(=O)O)nc2c(N)cccc12.
What is the InChIKey of 8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid?
The InChIKey is QGMHWPPZJKLYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18).
What are the key properties of 8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid?
8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-(3-aminopropoxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 102322894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).