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

C23H27N5 — CID 25198680

IUPAC3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
SMILESCCCCn1c(C(C)C)nc2cc3c(Nc4ccc(C)cc4)ncnc3cc21
InChIInChI=1S/C23H27N5/c1-5-6-11-28-21-13-19-18(12-20(21)27-23(28)15(2)3)22(25-14-24-19)26-17-9-7-16(4)8-10-17/h7-10,12-15H,5-6,11H2,1-4H3,(H,24,25,26)
InChIKeyVZUUECYZNOGTQA-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.96
Rot. Bonds6

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

3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine (PubChem CID 25198680) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound Name3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
PubChem CID25198680
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
SMILESCCCCn1c(C(C)C)nc2cc3c(Nc4ccc(C)cc4)ncnc3cc21
InChIInChI=1S/C23H27N5/c1-5-6-11-28-21-13-19-18(12-20(21)27-23(28)15(2)3)22(25-14-24-19)26-17-9-7-16(4)8-10-17/h7-10,12-15H,5-6,11H2,1-4H3,(H,24,25,26)
InChIKeyVZUUECYZNOGTQA-UHFFFAOYSA-N
XLogP5.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.96
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-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
The IUPAC name of 3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine (CID 25198680) is 3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for 3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
The canonical SMILES for 3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine is CCCCn1c(C(C)C)nc2cc3c(Nc4ccc(C)cc4)ncnc3cc21.
What is the InChIKey of 3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
The InChIKey is VZUUECYZNOGTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-5-6-11-28-21-13-19-18(12-20(21)27-23(28)15(2)3)22(25-14-24-19)26-17-9-7-16(4)8-10-17/h7-10,12-15H,5-6,11H2,1-4H3,(H,24,25,26).
What are the key properties of 3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine?
3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine has a molecular weight of 373.50 g/mol, XLogP of 5.96, 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-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 25198680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).