N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine

C22H17F2N3 — CID 90896586

IUPACN-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine
SMILESFc1ccc(Cc2nc(NCc3ccccc3)c3ccccc3n2)cc1F
InChIInChI=1S/C22H17F2N3/c23-18-11-10-16(12-19(18)24)13-21-26-20-9-5-4-8-17(20)22(27-21)25-14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,26,27)
InChIKeyGIGGEPROOLFEPN-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.11
Rot. Bonds5

About N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine

N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine (PubChem CID 90896586) has the molecular formula C22H17F2N3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine
PubChem CID90896586
Molecular FormulaC22H17F2N3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine
SMILESFc1ccc(Cc2nc(NCc3ccccc3)c3ccccc3n2)cc1F
InChIInChI=1S/C22H17F2N3/c23-18-11-10-16(12-19(18)24)13-21-26-20-9-5-4-8-17(20)22(27-21)25-14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,26,27)
InChIKeyGIGGEPROOLFEPN-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
CID 58523909
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
CID 69232051
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine
CID 118722361
2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 69221521
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 91262497
N-benzyl-3,4-difluoroaniline
CID 21321396
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine?
The IUPAC name of N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine (CID 90896586) is N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine is Fc1ccc(Cc2nc(NCc3ccccc3)c3ccccc3n2)cc1F.
What is the InChIKey of N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine?
The InChIKey is GIGGEPROOLFEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3/c23-18-11-10-16(12-19(18)24)13-21-26-20-9-5-4-8-17(20)22(27-21)25-14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,26,27).
What are the key properties of N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine?
N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine has a molecular weight of 361.40 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 90896586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).