8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

C20H26N4O — CID 162671038

IUPAC8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESCC1(C)Cc2cc(OC3CCCNCC3)ccc2-c2ncnc(N)c21
InChIInChI=1S/C20H26N4O/c1-20(2)11-13-10-15(25-14-4-3-8-22-9-7-14)5-6-16(13)18-17(20)19(21)24-12-23-18/h5-6,10,12,14,22H,3-4,7-9,11H2,1-2H3,(H2,21,23,24)
InChIKeyWUVIWPIIVCUQKY-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.08
Rot. Bonds2

About 8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (PubChem CID 162671038) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
PubChem CID162671038
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESCC1(C)Cc2cc(OC3CCCNCC3)ccc2-c2ncnc(N)c21
InChIInChI=1S/C20H26N4O/c1-20(2)11-13-10-15(25-14-4-3-8-22-9-7-14)5-6-16(13)18-17(20)19(21)24-12-23-18/h5-6,10,12,14,22H,3-4,7-9,11H2,1-2H3,(H2,21,23,24)
InChIKeyWUVIWPIIVCUQKY-UHFFFAOYSA-N
XLogP3.08
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (CID 162671038) is 8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is CC1(C)Cc2cc(OC3CCCNCC3)ccc2-c2ncnc(N)c21.
What is the InChIKey of 8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The InChIKey is WUVIWPIIVCUQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(2)11-13-10-15(25-14-4-3-8-22-9-7-14)5-6-16(13)18-17(20)19(21)24-12-23-18/h5-6,10,12,14,22H,3-4,7-9,11H2,1-2H3,(H2,21,23,24).
What are the key properties of 8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine has a molecular weight of 338.46 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azepan-4-yloxy)-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 162671038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).