4-amino-7-methoxyquinoline-3-carboxylic acid

C11H10N2O3 — CID 50877276

IUPAC4-amino-7-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2c(N)c(C(=O)O)cnc2c1
InChIInChI=1S/C11H10N2O3/c1-16-6-2-3-7-9(4-6)13-5-8(10(7)12)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKeyCOYQVZZYUHGIQE-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.52
Rot. Bonds2

About 4-amino-7-methoxyquinoline-3-carboxylic acid

4-amino-7-methoxyquinoline-3-carboxylic acid (PubChem CID 50877276) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-amino-7-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-7-methoxyquinoline-3-carboxylic acid
PubChem CID50877276
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-amino-7-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2c(N)c(C(=O)O)cnc2c1
InChIInChI=1S/C11H10N2O3/c1-16-6-2-3-7-9(4-6)13-5-8(10(7)12)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKeyCOYQVZZYUHGIQE-UHFFFAOYSA-N
XLogP1.52
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-7-ethoxyquinoline-3-carboxylic acid
CID 66487246
1,7-dimethoxyisoquinoline-4-carboxylic acid
CID 84696458
4-amino-7-ethoxyquinoline-3-carbohydrazide
CID 66487236
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
4-amino-6-phenoxyquinoline-3-carboxylic acid
CID 54588448
4-amino-7-methoxycinnoline-3-carboxamide
CID 13169389
4-bromo-6-methoxyquinoline-3-carboxylic acid;ethyl 4-bromo-6-methoxyquinoline-3-carboxylate
CID 68806216
4-amino-6-bromoquinoline-3-carboxylic acid
CID 46397798
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 30031621
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
CID 73012700

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-7-methoxyquinoline-3-carboxylic acid (CID 50877276) is 4-amino-7-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-7-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-7-methoxyquinoline-3-carboxylic acid is COc1ccc2c(N)c(C(=O)O)cnc2c1.
What is the InChIKey of 4-amino-7-methoxyquinoline-3-carboxylic acid?
The InChIKey is COYQVZZYUHGIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-6-2-3-7-9(4-6)13-5-8(10(7)12)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 4-amino-7-methoxyquinoline-3-carboxylic acid?
4-amino-7-methoxyquinoline-3-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 50877276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).