4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile

C17H13FN4 — CID 86305930

IUPAC4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
SMILESN#Cc1ccc(CCNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C17H13FN4/c18-14-5-6-16-15(9-14)17(22-11-21-16)20-8-7-12-1-3-13(10-19)4-2-12/h1-6,9,11H,7-8H2,(H,20,21,22)
InChIKeyVJXRMKROLIMWDH-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.30
Rot. Bonds4

About 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile

4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile (PubChem CID 86305930) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
PubChem CID86305930
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
SMILESN#Cc1ccc(CCNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C17H13FN4/c18-14-5-6-16-15(9-14)17(22-11-21-16)20-8-7-12-1-3-13(10-19)4-2-12/h1-6,9,11H,7-8H2,(H,20,21,22)
InChIKeyVJXRMKROLIMWDH-UHFFFAOYSA-N
XLogP3.30
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.30
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-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
CID 171354439
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
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile
CID 71679494
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 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile (CID 86305930) is 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile is N#Cc1ccc(CCNc2ncnc3ccc(F)cc23)cc1.
What is the InChIKey of 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile?
The InChIKey is VJXRMKROLIMWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4/c18-14-5-6-16-15(9-14)17(22-11-21-16)20-8-7-12-1-3-13(10-19)4-2-12/h1-6,9,11H,7-8H2,(H,20,21,22).
What are the key properties of 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile?
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile has a molecular weight of 292.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 86305930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).