6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

C21H20BrN3O2 — CID 2965680

IUPAC6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12)C1CCCO1
InChIInChI=1S/C21H20BrN3O2/c1-13(20-5-3-9-27-20)24-21(26)17-11-19(14-4-2-8-23-12-14)25-18-7-6-15(22)10-16(17)18/h2,4,6-8,10-13,20H,3,5,9H2,1H3,(H,24,26)
InChIKeyLGZNFBJQPHHABD-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.36
Rot. Bonds4

About 6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2965680) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is 6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2965680
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC Name6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12)C1CCCO1
InChIInChI=1S/C21H20BrN3O2/c1-13(20-5-3-9-27-20)24-21(26)17-11-19(14-4-2-8-23-12-14)25-18-7-6-15(22)10-16(17)18/h2,4,6-8,10-13,20H,3,5,9H2,1H3,(H,24,26)
InChIKeyLGZNFBJQPHHABD-UHFFFAOYSA-N
XLogP4.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

6-bromo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261532
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2965727
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 1257075
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-bromo-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 98271715
3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166183063
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965508
6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3276685
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
5-bromo-2-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 62074010
6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 20968590
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 17371985

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 2965680) is 6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is CC(NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12)C1CCCO1.
What is the InChIKey of 6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is LGZNFBJQPHHABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2/c1-13(20-5-3-9-27-20)24-21(26)17-11-19(14-4-2-8-23-12-14)25-18-7-6-15(22)10-16(17)18/h2,4,6-8,10-13,20H,3,5,9H2,1H3,(H,24,26).
What are the key properties of 6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 426.31 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2965680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).