4-(azepan-1-yl)-7-bromo-2-methylquinazoline

C15H18BrN3 — CID 69428086

IUPAC4-(azepan-1-yl)-7-bromo-2-methylquinazoline
SMILESCc1nc(N2CCCCCC2)c2ccc(Br)cc2n1
InChIInChI=1S/C15H18BrN3/c1-11-17-14-10-12(16)6-7-13(14)15(18-11)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3
InChIKeyGSBYABDILMZERW-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.08
Rot. Bonds1

About 4-(azepan-1-yl)-7-bromo-2-methylquinazoline

4-(azepan-1-yl)-7-bromo-2-methylquinazoline (PubChem CID 69428086) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-(azepan-1-yl)-7-bromo-2-methylquinazoline.

Molecular Properties

Compound Name4-(azepan-1-yl)-7-bromo-2-methylquinazoline
PubChem CID69428086
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-(azepan-1-yl)-7-bromo-2-methylquinazoline
SMILESCc1nc(N2CCCCCC2)c2ccc(Br)cc2n1
InChIInChI=1S/C15H18BrN3/c1-11-17-14-10-12(16)6-7-13(14)15(18-11)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3
InChIKeyGSBYABDILMZERW-UHFFFAOYSA-N
XLogP4.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-7-bromo-2-methylquinazoline?
The IUPAC name of 4-(azepan-1-yl)-7-bromo-2-methylquinazoline (CID 69428086) is 4-(azepan-1-yl)-7-bromo-2-methylquinazoline.
What is the SMILES notation for 4-(azepan-1-yl)-7-bromo-2-methylquinazoline?
The canonical SMILES for 4-(azepan-1-yl)-7-bromo-2-methylquinazoline is Cc1nc(N2CCCCCC2)c2ccc(Br)cc2n1.
What is the InChIKey of 4-(azepan-1-yl)-7-bromo-2-methylquinazoline?
The InChIKey is GSBYABDILMZERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11-17-14-10-12(16)6-7-13(14)15(18-11)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 4-(azepan-1-yl)-7-bromo-2-methylquinazoline?
4-(azepan-1-yl)-7-bromo-2-methylquinazoline has a molecular weight of 320.23 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-7-bromo-2-methylquinazoline is sourced from PubChem (CID 69428086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).