N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

C18H17F2N3O — CID 67597994

IUPACN-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1cc(F)c(F)cc1CCNc1ncnc2ccccc12
InChIInChI=1S/C18H17F2N3O/c1-24-10-13-9-16(20)15(19)8-12(13)6-7-21-18-14-4-2-3-5-17(14)22-11-23-18/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,22,23)
InChIKeyXKZJUVQHDBANFL-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.71
Rot. Bonds6

About N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 67597994) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
PubChem CID67597994
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1cc(F)c(F)cc1CCNc1ncnc2ccccc12
InChIInChI=1S/C18H17F2N3O/c1-24-10-13-9-16(20)15(19)8-12(13)6-7-21-18-14-4-2-3-5-17(14)22-11-23-18/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,22,23)
InChIKeyXKZJUVQHDBANFL-UHFFFAOYSA-N
XLogP3.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]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-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67597997
N-[4-[2-(methoxymethyl)phenyl]but-3-ynyl]quinazolin-4-amine
CID 67604240
2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol
CID 67890696
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278314
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]quinazolin-4-amine
CID 133277373
6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67610375
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (CID 67597994) is N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is COCc1cc(F)c(F)cc1CCNc1ncnc2ccccc12.
What is the InChIKey of N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is XKZJUVQHDBANFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-24-10-13-9-16(20)15(19)8-12(13)6-7-21-18-14-4-2-3-5-17(14)22-11-23-18/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,22,23).
What are the key properties of N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 329.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 67597994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).