6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine

C20H20BrN3O — CID 58499046

IUPAC6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine
SMILESBrc1cc(OC2CCCCC2)c2nc(Nc3ccccc3)ncc2c1
InChIInChI=1S/C20H20BrN3O/c21-15-11-14-13-22-20(23-16-7-3-1-4-8-16)24-19(14)18(12-15)25-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H,22,23,24)
InChIKeyJZXWWFMWFMXHCB-UHFFFAOYSA-N
MW398.30 g/mol
LogP5.85
Rot. Bonds4

About 6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine

6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine (PubChem CID 58499046) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is 6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine
PubChem CID58499046
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine
SMILESBrc1cc(OC2CCCCC2)c2nc(Nc3ccccc3)ncc2c1
InChIInChI=1S/C20H20BrN3O/c21-15-11-14-13-22-20(23-16-7-3-1-4-8-16)24-19(14)18(12-15)25-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H,22,23,24)
InChIKeyJZXWWFMWFMXHCB-UHFFFAOYSA-N
XLogP5.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine?
The IUPAC name of 6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine (CID 58499046) is 6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine?
The canonical SMILES for 6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine is Brc1cc(OC2CCCCC2)c2nc(Nc3ccccc3)ncc2c1.
What is the InChIKey of 6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine?
The InChIKey is JZXWWFMWFMXHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c21-15-11-14-13-22-20(23-16-7-3-1-4-8-16)24-19(14)18(12-15)25-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H,22,23,24).
What are the key properties of 6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine?
6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine has a molecular weight of 398.30 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine is sourced from PubChem (CID 58499046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).