6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine

C21H17FN4 — CID 171350371

IUPAC6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
SMILESFc1ccc2ncnc(NCCc3ccc(-c4ccncc4)cc3)c2c1
InChIInChI=1S/C21H17FN4/c22-18-5-6-20-19(13-18)21(26-14-25-20)24-12-7-15-1-3-16(4-2-15)17-8-10-23-11-9-17/h1-6,8-11,13-14H,7,12H2,(H,24,25,26)
InChIKeyVEWFYYIQMCPLDM-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.49
Rot. Bonds5

About 6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine

6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine (PubChem CID 171350371) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
PubChem CID171350371
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
SMILESFc1ccc2ncnc(NCCc3ccc(-c4ccncc4)cc3)c2c1
InChIInChI=1S/C21H17FN4/c22-18-5-6-20-19(13-18)21(26-14-25-20)24-12-7-15-1-3-16(4-2-15)17-8-10-23-11-9-17/h1-6,8-11,13-14H,7,12H2,(H,24,25,26)
InChIKeyVEWFYYIQMCPLDM-UHFFFAOYSA-N
XLogP4.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
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
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848
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-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-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine (CID 171350371) is 6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine is Fc1ccc2ncnc(NCCc3ccc(-c4ccncc4)cc3)c2c1.
What is the InChIKey of 6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine?
The InChIKey is VEWFYYIQMCPLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c22-18-5-6-20-19(13-18)21(26-14-25-20)24-12-7-15-1-3-16(4-2-15)17-8-10-23-11-9-17/h1-6,8-11,13-14H,7,12H2,(H,24,25,26).
What are the key properties of 6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine?
6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine has a molecular weight of 344.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 171350371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).