3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile

C17H13FN4 — CID 99812367

IUPAC3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
SMILESC[C@@H](Nc1ncnc2ccc(F)cc12)c1cccc(C#N)c1
InChIInChI=1S/C17H13FN4/c1-11(13-4-2-3-12(7-13)9-19)22-17-15-8-14(18)5-6-16(15)20-10-21-17/h2-8,10-11H,1H3,(H,20,21,22)/t11-/m1/s1
InChIKeyYSVSHETUTBLADU-LLVKDONJSA-N
MW292.32 g/mol
LogP3.81
Rot. Bonds3

About 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile

3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile (PubChem CID 99812367) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
PubChem CID99812367
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
SMILESC[C@@H](Nc1ncnc2ccc(F)cc12)c1cccc(C#N)c1
InChIInChI=1S/C17H13FN4/c1-11(13-4-2-3-12(7-13)9-19)22-17-15-8-14(18)5-6-16(15)20-10-21-17/h2-8,10-11H,1H3,(H,20,21,22)/t11-/m1/s1
InChIKeyYSVSHETUTBLADU-LLVKDONJSA-N
XLogP3.81
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile 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

3-[(1S)-1-[(6,7-difluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 99812358
3-[(1R)-1-[(6-methylquinazolin-4-yl)amino]ethyl]benzonitrile
CID 99812363
3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile
CID 46879811
6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168
4-amino-6-[[(1S)-1-[4-(3-cyanophenyl)-6-fluoroquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 68910830
6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
CID 133333165
(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol
CID 133428083
6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 146131899
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
6-[6-chloro-5-(methylsulfanylamino)-3-pyridinyl]-N-[1-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 164556435
6-[1-(3-fluorophenyl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103471472
3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile
CID 133333103

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile?
The IUPAC name of 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile (CID 99812367) is 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile.
What is the SMILES notation for 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile?
The canonical SMILES for 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile is C[C@@H](Nc1ncnc2ccc(F)cc12)c1cccc(C#N)c1.
What is the InChIKey of 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile?
The InChIKey is YSVSHETUTBLADU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H13FN4/c1-11(13-4-2-3-12(7-13)9-19)22-17-15-8-14(18)5-6-16(15)20-10-21-17/h2-8,10-11H,1H3,(H,20,21,22)/t11-/m1/s1.
What are the key properties of 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile?
3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile has a molecular weight of 292.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 99812367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).