6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide

C18H16BrN3O2 — CID 2221285

IUPAC6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C18H16BrN3O2/c1-24-8-7-21-18(23)15-10-17(12-3-2-6-20-11-12)22-16-5-4-13(19)9-14(15)16/h2-6,9-11H,7-8H2,1H3,(H,21,23)
InChIKeyPBKPJRHPNGIXLQ-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.44
Rot. Bonds5

About 6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide

6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2221285) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2221285
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C18H16BrN3O2/c1-24-8-7-21-18(23)15-10-17(12-3-2-6-20-11-12)22-16-5-4-13(19)9-14(15)16/h2-6,9-11H,7-8H2,1H3,(H,21,23)
InChIKeyPBKPJRHPNGIXLQ-UHFFFAOYSA-N
XLogP3.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 2221285) is 6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide is COCCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is PBKPJRHPNGIXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-24-8-7-21-18(23)15-10-17(12-3-2-6-20-11-12)22-16-5-4-13(19)9-14(15)16/h2-6,9-11H,7-8H2,1H3,(H,21,23).
What are the key properties of 6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2221285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).