4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline

C58H37Br3N8 — CID 160856758

IUPAC4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1.Brc1ccc(-c2nc(-c3ccccc3)nc3cccnc23)cc1.Brc1ccc(-c2nc(-c3ccccc3)nc3ncccc23)cc1
InChIInChI=1S/C20H13BrN2.2C19H12BrN3/c21-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)22-20(23-19)15-6-2-1-3-7-15;20-15-10-8-13(9-11-15)17-18-16(7-4-12-21-18)22-19(23-17)14-5-2-1-3-6-14;20-15-10-8-13(9-11-15)17-16-7-4-12-21-19(16)23-18(22-17)14-5-2-1-3-6-14/h1-13H;2*1-12H
InChIKeySJYNCQCXMWIIHU-UHFFFAOYSA-N
MW1085.70 g/mol
LogP15.97
Rot. Bonds6

About 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline

4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline (PubChem CID 160856758) has the molecular formula C58H37Br3N8 and a molecular weight of 1085.70 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline
PubChem CID160856758
Molecular FormulaC58H37Br3N8
Molecular Weight1085.70 g/mol
Exact Mass1082.07
IUPAC Name4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1.Brc1ccc(-c2nc(-c3ccccc3)nc3cccnc23)cc1.Brc1ccc(-c2nc(-c3ccccc3)nc3ncccc23)cc1
InChIInChI=1S/C20H13BrN2.2C19H12BrN3/c21-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)22-20(23-19)15-6-2-1-3-7-15;20-15-10-8-13(9-11-15)17-18-16(7-4-12-21-18)22-19(23-17)14-5-2-1-3-6-14;20-15-10-8-13(9-11-15)17-16-7-4-12-21-19(16)23-18(22-17)14-5-2-1-3-6-14/h1-13H;2*1-12H
InChIKeySJYNCQCXMWIIHU-UHFFFAOYSA-N
XLogP15.97
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.70
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline with MolForge

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Related Compounds

6-(9H-acridin-10-ylmethyl)pteridine-2,4-diamine
CID 483225
5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
4-[(Benzyl)(4-pyridyl)amino]-2-(5-bromo-2-fluorophenyl)pteridine
CID 44432067
3-(5-Bromo-3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 49863889
7-Bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine
CID 2544769
2-(5-Bromo-2-fluorophenyl)-4-[(methyl)(4-pyridyl)amino]pteridine
CID 44432065
4-[(Butyl)(4-pyridyl)amino]-2-(5-bromo-2-fluorophenyl)pteridine
CID 44432066
2-(5-Bromo-2-fluorophenyl)-4-[(phenethyl)(4-pyridyl)amino]-pteridine
CID 44432069
2,3-Bis(3-bromophenyl)pyrido[2,3-b]pyrazine
CID 1714677
7-Bromo-2,3-diphenylpyrido[2,3-b]pyrazine
CID 2305159
N,N'-Bis(benzo(b)(1,8)napthyridin-5-yl)-1,12-dodecanediamine
CID 99665
N~1~,N~10~-Bis(benzo[b][1,8]naphthyridin-5-yl)decane-1,10-diamine
CID 319096

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline?
The IUPAC name of 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline (CID 160856758) is 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline.
What is the SMILES notation for 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline?
The canonical SMILES for 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline is Brc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1.Brc1ccc(-c2nc(-c3ccccc3)nc3cccnc23)cc1.Brc1ccc(-c2nc(-c3ccccc3)nc3ncccc23)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline?
The InChIKey is SJYNCQCXMWIIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2.2C19H12BrN3/c21-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)22-20(23-19)15-6-2-1-3-7-15;20-15-10-8-13(9-11-15)17-18-16(7-4-12-21-18)22-19(23-17)14-5-2-1-3-6-14;20-15-10-8-13(9-11-15)17-16-7-4-12-21-19(16)23-18(22-17)14-5-2-1-3-6-14/h1-13H;2*1-12H.
What are the key properties of 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline?
4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline has a molecular weight of 1085.70 g/mol, XLogP of 15.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline is sourced from PubChem (CID 160856758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).