N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide

C16H12Cl2N3O2+ — CID 142801468

IUPACN-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2ccc[nH+]c12
InChIInChI=1S/C16H11Cl2N3O2/c1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18/h2-8H,1H3,(H,21,22)/p+1
InChIKeyFSDOTMQXIKBFKJ-UHFFFAOYSA-O
MW349.20 g/mol
LogP3.62
Rot. Bonds3

About N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide

N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide (PubChem CID 142801468) has the molecular formula C16H12Cl2N3O2+ and a molecular weight of 349.20 g/mol. Its IUPAC name is N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide
PubChem CID142801468
Molecular FormulaC16H12Cl2N3O2+
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC NameN-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2ccc[nH+]c12
InChIInChI=1S/C16H11Cl2N3O2/c1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18/h2-8H,1H3,(H,21,22)/p+1
InChIKeyFSDOTMQXIKBFKJ-UHFFFAOYSA-O
XLogP3.62
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87101826
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2800027
N-(2-chlorophenyl)-4-methoxynaphthalene-1-carboxamide
CID 110169740
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
CID 102979484
N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,6-dichloro-4-pyridinyl)ethylidene]hydroxylamine;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide
CID 87629927
N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide
CID 102979737
N-(5-chloro-2-methoxyphenyl)-3-hydroxynaphthalene-1-carboxamide
CID 18757585
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide?
The IUPAC name of N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide (CID 142801468) is N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide?
The canonical SMILES for N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide is COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2ccc[nH+]c12.
What is the InChIKey of N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide?
The InChIKey is FSDOTMQXIKBFKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H11Cl2N3O2/c1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18/h2-8H,1H3,(H,21,22)/p+1.
What are the key properties of N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide?
N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide has a molecular weight of 349.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinolin-1-ium-5-carboxamide is sourced from PubChem (CID 142801468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).