6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine

C22H17F2N3 — CID 171352860

IUPAC6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
SMILESFc1ccc(-c2ccc(CCNc3ncnc4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C22H17F2N3/c23-18-7-5-17(6-8-18)16-3-1-15(2-4-16)11-12-25-22-20-13-19(24)9-10-21(20)26-14-27-22/h1-10,13-14H,11-12H2,(H,25,26,27)
InChIKeyHDXCYAYOZIJSOV-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.23
Rot. Bonds5

About 6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine

6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 171352860) has the molecular formula C22H17F2N3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
PubChem CID171352860
Molecular FormulaC22H17F2N3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
SMILESFc1ccc(-c2ccc(CCNc3ncnc4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C22H17F2N3/c23-18-7-5-17(6-8-18)16-3-1-15(2-4-16)11-12-25-22-20-13-19(24)9-10-21(20)26-14-27-22/h1-10,13-14H,11-12H2,(H,25,26,27)
InChIKeyHDXCYAYOZIJSOV-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
CID 171354439
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
N-[2-fluoro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305238
N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide
CID 86305445
6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278287
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide
CID 86305545
N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305990
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine (CID 171352860) is 6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine is Fc1ccc(-c2ccc(CCNc3ncnc4ccc(F)cc34)cc2)cc1.
What is the InChIKey of 6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is HDXCYAYOZIJSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3/c23-18-7-5-17(6-8-18)16-3-1-15(2-4-16)11-12-25-22-20-13-19(24)9-10-21(20)26-14-27-22/h1-10,13-14H,11-12H2,(H,25,26,27).
What are the key properties of 6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine?
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 361.40 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 171352860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).