2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine

C12H13ClN2O3 — CID 174967264

IUPAC2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine
SMILESCN.COc1cc2nc(Cl)ccc2cc1C(=O)O
InChIInChI=1S/C11H8ClNO3.CH5N/c1-16-9-5-8-6(2-3-10(12)13-8)4-7(9)11(14)15;1-2/h2-5H,1H3,(H,14,15);2H2,1H3
InChIKeyWIPSKADNUUMASZ-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.17
Rot. Bonds2

About 2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine

2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine (PubChem CID 174967264) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine.

Molecular Properties

Compound Name2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine
PubChem CID174967264
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine
SMILESCN.COc1cc2nc(Cl)ccc2cc1C(=O)O
InChIInChI=1S/C11H8ClNO3.CH5N/c1-16-9-5-8-6(2-3-10(12)13-8)4-7(9)11(14)15;1-2/h2-5H,1H3,(H,14,15);2H2,1H3
InChIKeyWIPSKADNUUMASZ-UHFFFAOYSA-N
XLogP2.17
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-7-hydroxyquinoline-6-carboxamide
CID 151025538
6-methoxyquinoline-7-carboxylic acid
CID 131314399
2-chloro-1-(7-methoxy-2-methylquinolin-6-yl)ethanone
CID 158346226
3-methoxyphenanthrene-2-carboxylic acid
CID 44721157
4-[amino(chloro)amino]-2-methoxybenzoic acid
CID 89409844
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 123279032
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831
5-bromo-2-chloro-6-methoxyquinoline
CID 22139688
2,3-dimethoxyquinoline-7-carboxylic acid
CID 67754459
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine?
The IUPAC name of 2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine (CID 174967264) is 2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine.
What is the SMILES notation for 2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine?
The canonical SMILES for 2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine is CN.COc1cc2nc(Cl)ccc2cc1C(=O)O.
What is the InChIKey of 2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine?
The InChIKey is WIPSKADNUUMASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3.CH5N/c1-16-9-5-8-6(2-3-10(12)13-8)4-7(9)11(14)15;1-2/h2-5H,1H3,(H,14,15);2H2,1H3.
What are the key properties of 2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine?
2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine has a molecular weight of 268.70 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine is sourced from PubChem (CID 174967264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).