6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide

C21H20BrN3O2 — CID 166216690

IUPAC6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCOC1CCC1)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C21H20BrN3O2/c22-15-4-5-19-17(12-15)18(13-20(25-19)14-6-8-23-9-7-14)21(26)24-10-11-27-16-2-1-3-16/h4-9,12-13,16H,1-3,10-11H2,(H,24,26)
InChIKeyPODOZMKVIWITBP-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.36
Rot. Bonds6

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

6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 166216690) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is 6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID166216690
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC Name6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCOC1CCC1)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C21H20BrN3O2/c22-15-4-5-19-17(12-15)18(13-20(25-19)14-6-8-23-9-7-14)21(26)24-10-11-27-16-2-1-3-16/h4-9,12-13,16H,1-3,10-11H2,(H,24,26)
InChIKeyPODOZMKVIWITBP-UHFFFAOYSA-N
XLogP4.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.36
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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Related Compounds

2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 7472552
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1257032
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220478
6-bromo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261532
6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide
CID 86892310
6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 155967034
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
6-bromo-2-(4-tert-butylphenyl)-N-cyclooctylquinoline-4-carboxamide
CID 3361283
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
2-(4-bromophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]quinoline-4-carboxamide
CID 34038513

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 166216690) is 6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCCOC1CCC1)c1cc(-c2ccncc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is PODOZMKVIWITBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2/c22-15-4-5-19-17(12-15)18(13-20(25-19)14-6-8-23-9-7-14)21(26)24-10-11-27-16-2-1-3-16/h4-9,12-13,16H,1-3,10-11H2,(H,24,26).
What are the key properties of 6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 426.31 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 166216690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).