6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

C24H20BrN3O2 — CID 1261404

IUPAC6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc12
InChIInChI=1S/C24H20BrN3O2/c1-30-23-8-3-2-6-16(23)11-13-27-24(29)19-15-22(21-7-4-5-12-26-21)28-20-10-9-17(25)14-18(19)20/h2-10,12,14-15H,11,13H2,1H3,(H,27,29)
InChIKeyKQFMYBBXAJKNHK-UHFFFAOYSA-N
MW462.35 g/mol
LogP5.04
Rot. Bonds6

About 6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 1261404) has the molecular formula C24H20BrN3O2 and a molecular weight of 462.35 g/mol. Its IUPAC name is 6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID1261404
Molecular FormulaC24H20BrN3O2
Molecular Weight462.35 g/mol
Exact Mass461.07
IUPAC Name6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc12
InChIInChI=1S/C24H20BrN3O2/c1-30-23-8-3-2-6-16(23)11-13-27-24(29)19-15-22(21-7-4-5-12-26-21)28-20-10-9-17(25)14-18(19)20/h2-10,12,14-15H,11,13H2,1H3,(H,27,29)
InChIKeyKQFMYBBXAJKNHK-UHFFFAOYSA-N
XLogP5.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.35
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291475
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 103882028
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798360
N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581632
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
7-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-oxoisochromene-3-carboxamide
CID 172905649
6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 149460373
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46655946
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220680
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 1261404) is 6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is COc1ccccc1CCNC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is KQFMYBBXAJKNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O2/c1-30-23-8-3-2-6-16(23)11-13-27-24(29)19-15-22(21-7-4-5-12-26-21)28-20-10-9-17(25)14-18(19)20/h2-10,12,14-15H,11,13H2,1H3,(H,27,29).
What are the key properties of 6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 462.35 g/mol, XLogP of 5.04, 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-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).