2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine

C26H26ClN3O2 — CID 22310721

IUPAC2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine
SMILESCCCCc1ccc(-c2nc(Nc3cc(Cl)c(OC)cc3OC)c3ccccc3n2)cc1
InChIInChI=1S/C26H26ClN3O2/c1-4-5-8-17-11-13-18(14-12-17)25-28-21-10-7-6-9-19(21)26(30-25)29-22-15-20(27)23(31-2)16-24(22)32-3/h6-7,9-16H,4-5,8H2,1-3H3,(H,28,29,30)
InChIKeyILZMZDKVCCUDFL-UHFFFAOYSA-N
MW447.97 g/mol
LogP7.05
Rot. Bonds8

About 2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine

2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine (PubChem CID 22310721) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine
PubChem CID22310721
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine
SMILESCCCCc1ccc(-c2nc(Nc3cc(Cl)c(OC)cc3OC)c3ccccc3n2)cc1
InChIInChI=1S/C26H26ClN3O2/c1-4-5-8-17-11-13-18(14-12-17)25-28-21-10-7-6-9-19(21)26(30-25)29-22-15-20(27)23(31-2)16-24(22)32-3/h6-7,9-16H,4-5,8H2,1-3H3,(H,28,29,30)
InChIKeyILZMZDKVCCUDFL-UHFFFAOYSA-N
XLogP7.05
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine (CID 22310721) is 2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine is CCCCc1ccc(-c2nc(Nc3cc(Cl)c(OC)cc3OC)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine?
The InChIKey is ILZMZDKVCCUDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-4-5-8-17-11-13-18(14-12-17)25-28-21-10-7-6-9-19(21)26(30-25)29-22-15-20(27)23(31-2)16-24(22)32-3/h6-7,9-16H,4-5,8H2,1-3H3,(H,28,29,30).
What are the key properties of 2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine?
2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine has a molecular weight of 447.97 g/mol, XLogP of 7.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 22310721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).