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

C24H24N4 — CID 3233234

IUPACN-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine
SMILESCN(C)Cc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C24H24N4/c1-28(2)17-19-12-6-7-13-20(19)24-26-22-15-9-8-14-21(22)23(27-24)25-16-18-10-4-3-5-11-18/h3-15H,16-17H2,1-2H3,(H,25,26,27)
InChIKeyUZNOUGUOODNRBH-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.97
Rot. Bonds6

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

N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine (PubChem CID 3233234) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine
PubChem CID3233234
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC NameN-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine
SMILESCN(C)Cc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C24H24N4/c1-28(2)17-19-12-6-7-13-20(19)24-26-22-15-9-8-14-21(22)23(27-24)25-16-18-10-4-3-5-11-18/h3-15H,16-17H2,1-2H3,(H,25,26,27)
InChIKeyUZNOUGUOODNRBH-UHFFFAOYSA-N
XLogP4.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
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-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine?
The IUPAC name of N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine (CID 3233234) is N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine is CN(C)Cc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1.
What is the InChIKey of N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine?
The InChIKey is UZNOUGUOODNRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-28(2)17-19-12-6-7-13-20(19)24-26-22-15-9-8-14-21(22)23(27-24)25-16-18-10-4-3-5-11-18/h3-15H,16-17H2,1-2H3,(H,25,26,27).
What are the key properties of N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine?
N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine has a molecular weight of 368.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 3233234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).