N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine

C26H28N4O2 — CID 3233048

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3CN(C)C)nc3ccccc23)c(OC)c1
InChIInChI=1S/C26H28N4O2/c1-30(2)17-19-9-5-6-10-21(19)26-28-23-12-8-7-11-22(23)25(29-26)27-16-18-13-14-20(31-3)15-24(18)32-4/h5-15H,16-17H2,1-4H3,(H,27,28,29)
InChIKeyZJQQLWSTQJUERH-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.99
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine (PubChem CID 3233048) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine
PubChem CID3233048
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3CN(C)C)nc3ccccc23)c(OC)c1
InChIInChI=1S/C26H28N4O2/c1-30(2)17-19-9-5-6-10-21(19)26-28-23-12-8-7-11-22(23)25(29-26)27-16-18-13-14-20(31-3)15-24(18)32-4/h5-15H,16-17H2,1-4H3,(H,27,28,29)
InChIKeyZJQQLWSTQJUERH-UHFFFAOYSA-N
XLogP4.99
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine (CID 3233048) is N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine is COc1ccc(CNc2nc(-c3ccccc3CN(C)C)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine?
The InChIKey is ZJQQLWSTQJUERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-30(2)17-19-9-5-6-10-21(19)26-28-23-12-8-7-11-22(23)25(29-26)27-16-18-13-14-20(31-3)15-24(18)32-4/h5-15H,16-17H2,1-4H3,(H,27,28,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine has a molecular weight of 428.54 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 3233048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).