8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid

C14H16N2O3 — CID 86002223

IUPAC8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid
SMILESCC(C)COc1cc(C(=O)O)nc2c(N)cccc12
InChIInChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18)
InChIKeyUQMUZAYVJKDBFB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.55
Rot. Bonds4

About 8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid

8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid (PubChem CID 86002223) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid
PubChem CID86002223
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid
SMILESCC(C)COc1cc(C(=O)O)nc2c(N)cccc12
InChIInChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18)
InChIKeyUQMUZAYVJKDBFB-UHFFFAOYSA-N
XLogP2.55
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-2-quinolinecarboxylic acid
CID 594596
3-Methylbut-2-enyl 4-methoxy-8-(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 46910769
3-Methylbut-2-enyl 4,8-bis(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 73602831
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
3-Methylbut-2-enyl 8-(3-methylbut-2-enoxy)-4-pentoxyquinoline-2-carboxylate
CID 74223689
6-methoxyquinoline-2-carboxylic Acid
CID 11183298
8-Methoxyquinoline-2-carboxylic acid
CID 12336160
Ethyl 1-ethoxybenzo[f]quinoline-3-carboxylate
CID 307154
3-butoxy-N-(2-methylquinolin-8-yl)benzamide
CID 16016589
6-Methoxy-8-nitro-2-quinoline carboxylic acid
CID 265987

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid?
The IUPAC name of 8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid (CID 86002223) is 8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid?
The canonical SMILES for 8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid is CC(C)COc1cc(C(=O)O)nc2c(N)cccc12.
What is the InChIKey of 8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid?
The InChIKey is UQMUZAYVJKDBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18).
What are the key properties of 8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid?
8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-(2-methylpropoxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 86002223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).