2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine

C23H24N4 — CID 142126755

IUPAC2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine
SMILESCCC1N=C(Nc2nc(-c3c(C)cccc3C)nc3ccccc23)C=C1C
InChIInChI=1S/C23H24N4/c1-5-18-16(4)13-20(24-18)26-22-17-11-6-7-12-19(17)25-23(27-22)21-14(2)9-8-10-15(21)3/h6-13,18H,5H2,1-4H3,(H,24,25,26,27)
InChIKeyVZVXQBVWLFFREM-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.46
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine

2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine (PubChem CID 142126755) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine
PubChem CID142126755
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine
SMILESCCC1N=C(Nc2nc(-c3c(C)cccc3C)nc3ccccc23)C=C1C
InChIInChI=1S/C23H24N4/c1-5-18-16(4)13-20(24-18)26-22-17-11-6-7-12-19(17)25-23(27-22)21-14(2)9-8-10-15(21)3/h6-13,18H,5H2,1-4H3,(H,24,25,26,27)
InChIKeyVZVXQBVWLFFREM-UHFFFAOYSA-N
XLogP5.46
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine (CID 142126755) is 2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine is CCC1N=C(Nc2nc(-c3c(C)cccc3C)nc3ccccc23)C=C1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine?
The InChIKey is VZVXQBVWLFFREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-5-18-16(4)13-20(24-18)26-22-17-11-6-7-12-19(17)25-23(27-22)21-14(2)9-8-10-15(21)3/h6-13,18H,5H2,1-4H3,(H,24,25,26,27).
What are the key properties of 2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine?
2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 142126755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).