6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide

C19H18BrN3O3 — CID 155967034

IUPAC6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NC(CO)CCO)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C19H18BrN3O3/c20-13-1-2-17-15(9-13)16(19(26)22-14(11-25)5-8-24)10-18(23-17)12-3-6-21-7-4-12/h1-4,6-7,9-10,14,24-25H,5,8,11H2,(H,22,26)
InChIKeyYMUHYRSKJVFSMI-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.53
Rot. Bonds6

About 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide

6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 155967034) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID155967034
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NC(CO)CCO)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C19H18BrN3O3/c20-13-1-2-17-15(9-13)16(19(26)22-14(11-25)5-8-24)10-18(23-17)12-3-6-21-7-4-12/h1-4,6-7,9-10,14,24-25H,5,8,11H2,(H,22,26)
InChIKeyYMUHYRSKJVFSMI-UHFFFAOYSA-N
XLogP2.53
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide with MolForge

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Related Compounds

2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 7472552
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide
CID 86892310
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220497
6-bromo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261532
N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220478
6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 166216690
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1257032
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
6-bromo-2-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)quinoline-4-carboxamide
CID 166202075
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 15489616
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220449

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 155967034) is 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NC(CO)CCO)c1cc(-c2ccncc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is YMUHYRSKJVFSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c20-13-1-2-17-15(9-13)16(19(26)22-14(11-25)5-8-24)10-18(23-17)12-3-6-21-7-4-12/h1-4,6-7,9-10,14,24-25H,5,8,11H2,(H,22,26).
What are the key properties of 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 155967034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).