2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine

C25H26N4 — CID 3234479

IUPAC2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1cccc(CNc2nc(-c3ccccc3CN(C)C)nc3ccccc23)c1
InChIInChI=1S/C25H26N4/c1-18-9-8-10-19(15-18)16-26-24-22-13-6-7-14-23(22)27-25(28-24)21-12-5-4-11-20(21)17-29(2)3/h4-15H,16-17H2,1-3H3,(H,26,27,28)
InChIKeyDAWIDRXDVFITRO-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.28
Rot. Bonds6

About 2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine

2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine (PubChem CID 3234479) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine
PubChem CID3234479
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1cccc(CNc2nc(-c3ccccc3CN(C)C)nc3ccccc23)c1
InChIInChI=1S/C25H26N4/c1-18-9-8-10-19(15-18)16-26-24-22-13-6-7-14-23(22)27-25(28-24)21-12-5-4-11-20(21)17-29(2)3/h4-15H,16-17H2,1-3H3,(H,26,27,28)
InChIKeyDAWIDRXDVFITRO-UHFFFAOYSA-N
XLogP5.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine (CID 3234479) is 2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine is Cc1cccc(CNc2nc(-c3ccccc3CN(C)C)nc3ccccc23)c1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The InChIKey is DAWIDRXDVFITRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-18-9-8-10-19(15-18)16-26-24-22-13-6-7-14-23(22)27-25(28-24)21-12-5-4-11-20(21)17-29(2)3/h4-15H,16-17H2,1-3H3,(H,26,27,28).
What are the key properties of 2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine has a molecular weight of 382.51 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).