4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile

C17H11FN2O — CID 38827522

IUPAC4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(F)cc3cccnc23)cc1
InChIInChI=1S/C17H11FN2O/c18-15-8-13-2-1-7-20-17(13)14(9-15)11-21-16-5-3-12(10-19)4-6-16/h1-9H,11H2
InChIKeyQVDLBOGNCZNLSP-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.82
Rot. Bonds3

About 4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile

4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile (PubChem CID 38827522) has the molecular formula C17H11FN2O and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile
PubChem CID38827522
Molecular FormulaC17H11FN2O
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(F)cc3cccnc23)cc1
InChIInChI=1S/C17H11FN2O/c18-15-8-13-2-1-7-20-17(13)14(9-15)11-21-16-5-3-12(10-19)4-6-16/h1-9H,11H2
InChIKeyQVDLBOGNCZNLSP-UHFFFAOYSA-N
XLogP3.82
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-3-pyridinyl)methoxy]benzonitrile
CID 62465646
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
1-(6-fluoroquinolin-8-yl)-N-methylmethanamine
CID 115697313
7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
CID 38828676
N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine
CID 115697277
4-(2-quinolin-6-yloxyethoxy)benzonitrile
CID 56799582
3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid
CID 63336089
8-[(4-bromophenoxy)methyl]quinoline
CID 28775084
3-(6-fluoroquinolin-8-yl)propan-1-amine
CID 82576719
4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline
CID 38829933
4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
CID 114014859

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile?
The IUPAC name of 4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile (CID 38827522) is 4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile?
The canonical SMILES for 4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile is N#Cc1ccc(OCc2cc(F)cc3cccnc23)cc1.
What is the InChIKey of 4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile?
The InChIKey is QVDLBOGNCZNLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O/c18-15-8-13-2-1-7-20-17(13)14(9-15)11-21-16-5-3-12(10-19)4-6-16/h1-9H,11H2.
What are the key properties of 4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile?
4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile has a molecular weight of 278.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile is sourced from PubChem (CID 38827522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).