5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline

C39H24BrN5 — CID 155195952

IUPAC5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline
SMILESBrc1cc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4ncccc4c3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C39H24BrN5/c40-32-21-30(33-7-1-9-36-34(33)8-4-18-43-36)20-31(22-32)38-23-37(26-12-10-25(11-13-26)29-6-2-16-41-24-29)44-39(45-38)28-14-15-35-27(19-28)5-3-17-42-35/h1-24H
InChIKeyMSGHSTZOECGMOC-UHFFFAOYSA-N
MW642.56 g/mol
LogP10.07
Rot. Bonds5

About 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline

5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline (PubChem CID 155195952) has the molecular formula C39H24BrN5 and a molecular weight of 642.56 g/mol. Its IUPAC name is 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline
PubChem CID155195952
Molecular FormulaC39H24BrN5
Molecular Weight642.56 g/mol
Exact Mass641.12
IUPAC Name5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline
SMILESBrc1cc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4ncccc4c3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C39H24BrN5/c40-32-21-30(33-7-1-9-36-34(33)8-4-18-43-36)20-31(22-32)38-23-37(26-12-10-25(11-13-26)29-6-2-16-41-24-29)44-39(45-38)28-14-15-35-27(19-28)5-3-17-42-35/h1-24H
InChIKeyMSGHSTZOECGMOC-UHFFFAOYSA-N
XLogP10.07
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.56
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline with MolForge

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Related Compounds

N-(3-bromophenyl)benzo[g]quinazolin-4-amine
CID 5328245
Pyrido[3,4-G]quinazolin-2-Amine
CID 118988440
5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10895093
5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-pentyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11306409
5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11752435
5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
2-(2-bromophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]quinazolin-4-amine
CID 60167912
6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
CID 155513851
4-Phenyl-6-quinolin-3-ylquinazoline
CID 155542800
6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 166629748
US10167270, Example 17
CID 124168021
US11839613, Example 318
CID 135381987

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline?
The IUPAC name of 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline (CID 155195952) is 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline.
What is the SMILES notation for 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline?
The canonical SMILES for 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline is Brc1cc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4ncccc4c3)n2)cc(-c2cccc3ncccc23)c1.
What is the InChIKey of 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline?
The InChIKey is MSGHSTZOECGMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24BrN5/c40-32-21-30(33-7-1-9-36-34(33)8-4-18-43-36)20-31(22-32)38-23-37(26-12-10-25(11-13-26)29-6-2-16-41-24-29)44-39(45-38)28-14-15-35-27(19-28)5-3-17-42-35/h1-24H.
What are the key properties of 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline?
5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline has a molecular weight of 642.56 g/mol, XLogP of 10.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-[6-(4-pyridin-3-ylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline is sourced from PubChem (CID 155195952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).