3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine

C22H24FN5 — CID 44565386

IUPAC3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
SMILESCCCCn1c(C(C)C)nc2cc3c(Nc4ccc(F)cc4)ncnc3cc21
InChIInChI=1S/C22H24FN5/c1-4-5-10-28-20-12-18-17(11-19(20)27-22(28)14(2)3)21(25-13-24-18)26-16-8-6-15(23)7-9-16/h6-9,11-14H,4-5,10H2,1-3H3,(H,24,25,26)
InChIKeyZYWMYWBGIAORSI-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.79
Rot. Bonds6

About 3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine

3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine (PubChem CID 44565386) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound Name3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
PubChem CID44565386
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC Name3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
SMILESCCCCn1c(C(C)C)nc2cc3c(Nc4ccc(F)cc4)ncnc3cc21
InChIInChI=1S/C22H24FN5/c1-4-5-10-28-20-12-18-17(11-19(20)27-22(28)14(2)3)21(25-13-24-18)26-16-8-6-15(23)7-9-16/h6-9,11-14H,4-5,10H2,1-3H3,(H,24,25,26)
InChIKeyZYWMYWBGIAORSI-UHFFFAOYSA-N
XLogP5.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
The IUPAC name of 3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine (CID 44565386) is 3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for 3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
The canonical SMILES for 3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine is CCCCn1c(C(C)C)nc2cc3c(Nc4ccc(F)cc4)ncnc3cc21.
What is the InChIKey of 3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
The InChIKey is ZYWMYWBGIAORSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-4-5-10-28-20-12-18-17(11-19(20)27-22(28)14(2)3)21(25-13-24-18)26-16-8-6-15(23)7-9-16/h6-9,11-14H,4-5,10H2,1-3H3,(H,24,25,26).
What are the key properties of 3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine has a molecular weight of 377.47 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 44565386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).