N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide

C25H27N5O — CID 44567628

IUPACN-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide
SMILESCN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccc(N)cc2)N1c1ccccc1
InChIInChI=1S/C25H27N5O/c1-29(2)25-28-22-11-7-6-10-21(22)23(30(25)20-8-4-3-5-9-20)16-24(31)27-17-18-12-14-19(26)15-13-18/h3-15,23H,16-17,26H2,1-2H3,(H,27,31)
InChIKeyADQNFSXMHBVQJA-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.09
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide

N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide (PubChem CID 44567628) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide
PubChem CID44567628
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide
SMILESCN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccc(N)cc2)N1c1ccccc1
InChIInChI=1S/C25H27N5O/c1-29(2)25-28-22-11-7-6-10-21(22)23(30(25)20-8-4-3-5-9-20)16-24(31)27-17-18-12-14-19(26)15-13-18/h3-15,23H,16-17,26H2,1-2H3,(H,27,31)
InChIKeyADQNFSXMHBVQJA-UHFFFAOYSA-N
XLogP4.09
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide (CID 44567628) is N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide is CN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccc(N)cc2)N1c1ccccc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide?
The InChIKey is ADQNFSXMHBVQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-29(2)25-28-22-11-7-6-10-21(22)23(30(25)20-8-4-3-5-9-20)16-24(31)27-17-18-12-14-19(26)15-13-18/h3-15,23H,16-17,26H2,1-2H3,(H,27,31).
What are the key properties of N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide?
N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide has a molecular weight of 413.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide is sourced from PubChem (CID 44567628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).