4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide

C26H26N4O3 — CID 3233768

IUPAC4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc(CNc2nc(-c3ccc(C(=O)N(C)C)cc3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C26H26N4O3/c1-30(2)26(31)18-11-9-17(10-12-18)24-28-22-8-6-5-7-21(22)25(29-24)27-16-19-13-14-20(32-3)15-23(19)33-4/h5-15H,16H2,1-4H3,(H,27,28,29)
InChIKeyLATAUOIADSTLRG-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.63
Rot. Bonds7

About 4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide

4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide (PubChem CID 3233768) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
PubChem CID3233768
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc(CNc2nc(-c3ccc(C(=O)N(C)C)cc3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C26H26N4O3/c1-30(2)26(31)18-11-9-17(10-12-18)24-28-22-8-6-5-7-21(22)25(29-24)27-16-19-13-14-20(32-3)15-23(19)33-4/h5-15H,16H2,1-4H3,(H,27,28,29)
InChIKeyLATAUOIADSTLRG-UHFFFAOYSA-N
XLogP4.63
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide (CID 3233768) is 4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide is COc1ccc(CNc2nc(-c3ccc(C(=O)N(C)C)cc3)nc3ccccc23)c(OC)c1.
What is the InChIKey of 4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is LATAUOIADSTLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-30(2)26(31)18-11-9-17(10-12-18)24-28-22-8-6-5-7-21(22)25(29-24)27-16-19-13-14-20(32-3)15-23(19)33-4/h5-15H,16H2,1-4H3,(H,27,28,29).
What are the key properties of 4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 442.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 3233768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).