N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine

C23H22N4 — CID 3233864

IUPACN-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine
SMILESCN(C)c1ccc(-c2ccc3ncnc(NCc4ccccc4)c3c2)cc1
InChIInChI=1S/C23H22N4/c1-27(2)20-11-8-18(9-12-20)19-10-13-22-21(14-19)23(26-16-25-22)24-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,24,25,26)
InChIKeyRUQXKKVIBSBOED-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.97
Rot. Bonds5

About N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine

N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine (PubChem CID 3233864) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine
PubChem CID3233864
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC NameN-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine
SMILESCN(C)c1ccc(-c2ccc3ncnc(NCc4ccccc4)c3c2)cc1
InChIInChI=1S/C23H22N4/c1-27(2)20-11-8-18(9-12-20)19-10-13-22-21(14-19)23(26-16-25-22)24-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,24,25,26)
InChIKeyRUQXKKVIBSBOED-UHFFFAOYSA-N
XLogP4.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine?
The IUPAC name of N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine (CID 3233864) is N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine?
The canonical SMILES for N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine is CN(C)c1ccc(-c2ccc3ncnc(NCc4ccccc4)c3c2)cc1.
What is the InChIKey of N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine?
The InChIKey is RUQXKKVIBSBOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-27(2)20-11-8-18(9-12-20)19-10-13-22-21(14-19)23(26-16-25-22)24-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,24,25,26).
What are the key properties of N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine?
N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine is sourced from PubChem (CID 3233864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).