1-(3-bromo-2-methylphenyl)-2H-quinazoline

C15H13BrN2 — CID 68745372

IUPAC1-(3-bromo-2-methylphenyl)-2H-quinazoline
SMILESCc1c(Br)cccc1N1CN=Cc2ccccc21
InChIInChI=1S/C15H13BrN2/c1-11-13(16)6-4-8-14(11)18-10-17-9-12-5-2-3-7-15(12)18/h2-9H,10H2,1H3
InChIKeyJOHATBBXTSVLEN-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.29
Rot. Bonds1

About 1-(3-bromo-2-methylphenyl)-2H-quinazoline

1-(3-bromo-2-methylphenyl)-2H-quinazoline (PubChem CID 68745372) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2H-quinazoline.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2H-quinazoline
PubChem CID68745372
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name1-(3-bromo-2-methylphenyl)-2H-quinazoline
SMILESCc1c(Br)cccc1N1CN=Cc2ccccc21
InChIInChI=1S/C15H13BrN2/c1-11-13(16)6-4-8-14(11)18-10-17-9-12-5-2-3-7-15(12)18/h2-9H,10H2,1H3
InChIKeyJOHATBBXTSVLEN-UHFFFAOYSA-N
XLogP4.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2H-quinazoline?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2H-quinazoline (CID 68745372) is 1-(3-bromo-2-methylphenyl)-2H-quinazoline.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2H-quinazoline?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2H-quinazoline is Cc1c(Br)cccc1N1CN=Cc2ccccc21.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2H-quinazoline?
The InChIKey is JOHATBBXTSVLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-11-13(16)6-4-8-14(11)18-10-17-9-12-5-2-3-7-15(12)18/h2-9H,10H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2H-quinazoline?
1-(3-bromo-2-methylphenyl)-2H-quinazoline has a molecular weight of 301.19 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2H-quinazoline is sourced from PubChem (CID 68745372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).