6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine

C15H18BrN3O — CID 133399430

IUPAC6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine
SMILESCOC1CCCC(Nc2ncnc3ccc(Br)cc23)C1
InChIInChI=1S/C15H18BrN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h5-7,9,11-12H,2-4,8H2,1H3,(H,17,18,19)
InChIKeyUMCMSFWJMBUHCY-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.76
Rot. Bonds3

About 6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine

6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine (PubChem CID 133399430) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine
PubChem CID133399430
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine
SMILESCOC1CCCC(Nc2ncnc3ccc(Br)cc23)C1
InChIInChI=1S/C15H18BrN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h5-7,9,11-12H,2-4,8H2,1H3,(H,17,18,19)
InChIKeyUMCMSFWJMBUHCY-UHFFFAOYSA-N
XLogP3.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine (CID 133399430) is 6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine is COC1CCCC(Nc2ncnc3ccc(Br)cc23)C1.
What is the InChIKey of 6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine?
The InChIKey is UMCMSFWJMBUHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h5-7,9,11-12H,2-4,8H2,1H3,(H,17,18,19).
What are the key properties of 6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine?
6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 133399430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).