2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline

C29H21BrN6 — CID 90763819

IUPAC2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline
SMILESCc1ccc(-c2ncc3ccc(-c4cc(-c5ncc6ccccc6n5)nc(C)c4C)cc3n2)nc1Br
InChIInChI=1S/C29H21BrN6/c1-16-8-11-24(34-27(16)30)28-31-15-21-10-9-19(12-25(21)36-28)22-13-26(33-18(3)17(22)2)29-32-14-20-6-4-5-7-23(20)35-29/h4-15H,1-3H3
InChIKeySJZIUUAXECVXIX-UHFFFAOYSA-N
MW533.43 g/mol
LogP7.05
Rot. Bonds3

About 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline

2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline (PubChem CID 90763819) has the molecular formula C29H21BrN6 and a molecular weight of 533.43 g/mol. Its IUPAC name is 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline.

Molecular Properties

Compound Name2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline
PubChem CID90763819
Molecular FormulaC29H21BrN6
Molecular Weight533.43 g/mol
Exact Mass532.10
IUPAC Name2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline
SMILESCc1ccc(-c2ncc3ccc(-c4cc(-c5ncc6ccccc6n5)nc(C)c4C)cc3n2)nc1Br
InChIInChI=1S/C29H21BrN6/c1-16-8-11-24(34-27(16)30)28-31-15-21-10-9-19(12-25(21)36-28)22-13-26(33-18(3)17(22)2)29-32-14-20-6-4-5-7-23(20)35-29/h4-15H,1-3H3
InChIKeySJZIUUAXECVXIX-UHFFFAOYSA-N
XLogP7.05
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.43
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline with MolForge

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Related Compounds

2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
5-Methyl-6-[(6-quinolylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 463891
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
2-(4-tert-butylphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 1185486
5-Methyl-6-[(3-quinolylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 463890
4,8-Dimethyl-2-[4-(2-pyrimidinyl)piperazino]quinoline
CID 1488106
N-[(4-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2454709
2-[4-(2-Pyrimidinyl)-1-piperazinyl]quinoline
CID 7033665
4-(2-Methylpiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 659902

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline?
The IUPAC name of 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline (CID 90763819) is 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline.
What is the SMILES notation for 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline?
The canonical SMILES for 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline is Cc1ccc(-c2ncc3ccc(-c4cc(-c5ncc6ccccc6n5)nc(C)c4C)cc3n2)nc1Br.
What is the InChIKey of 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline?
The InChIKey is SJZIUUAXECVXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21BrN6/c1-16-8-11-24(34-27(16)30)28-31-15-21-10-9-19(12-25(21)36-28)22-13-26(33-18(3)17(22)2)29-32-14-20-6-4-5-7-23(20)35-29/h4-15H,1-3H3.
What are the key properties of 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline?
2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline has a molecular weight of 533.43 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-methyl-2-pyridinyl)-7-(2,3-dimethyl-6-quinazolin-2-yl-4-pyridinyl)quinazoline is sourced from PubChem (CID 90763819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).