3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine

C24H27N5 — CID 25198679

IUPAC3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
SMILESCC(C)c1nc2cc3c(Nc4ccccc4)ncnc3cc2n1C1CCCCC1
InChIInChI=1S/C24H27N5/c1-16(2)24-28-21-13-19-20(14-22(21)29(24)18-11-7-4-8-12-18)25-15-26-23(19)27-17-9-5-3-6-10-17/h3,5-6,9-10,13-16,18H,4,7-8,11-12H2,1-2H3,(H,25,26,27)
InChIKeyOAUHEILZOZMOLU-UHFFFAOYSA-N
MW385.52 g/mol
LogP6.35
Rot. Bonds4

About 3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine

3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine (PubChem CID 25198679) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
PubChem CID25198679
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
SMILESCC(C)c1nc2cc3c(Nc4ccccc4)ncnc3cc2n1C1CCCCC1
InChIInChI=1S/C24H27N5/c1-16(2)24-28-21-13-19-20(14-22(21)29(24)18-11-7-4-8-12-18)25-15-26-23(19)27-17-9-5-3-6-10-17/h3,5-6,9-10,13-16,18H,4,7-8,11-12H2,1-2H3,(H,25,26,27)
InChIKeyOAUHEILZOZMOLU-UHFFFAOYSA-N
XLogP6.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.52
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
The IUPAC name of 3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine (CID 25198679) is 3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for 3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
The canonical SMILES for 3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine is CC(C)c1nc2cc3c(Nc4ccccc4)ncnc3cc2n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
The InChIKey is OAUHEILZOZMOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-16(2)24-28-21-13-19-20(14-22(21)29(24)18-11-7-4-8-12-18)25-15-26-23(19)27-17-9-5-3-6-10-17/h3,5-6,9-10,13-16,18H,4,7-8,11-12H2,1-2H3,(H,25,26,27).
What are the key properties of 3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine has a molecular weight of 385.52 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 25198679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).