4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile

C17H12FN3O — CID 50768736

IUPAC4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2c(Nc3ccc(F)cc3)c(C#N)cnc2c1
InChIInChI=1S/C17H12FN3O/c1-22-14-6-7-15-16(8-14)20-10-11(9-19)17(15)21-13-4-2-12(18)3-5-13/h2-8,10H,1H3,(H,20,21)
InChIKeyVINTYIUPJMIKET-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.00
Rot. Bonds3

About 4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile

4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile (PubChem CID 50768736) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
PubChem CID50768736
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2c(Nc3ccc(F)cc3)c(C#N)cnc2c1
InChIInChI=1S/C17H12FN3O/c1-22-14-6-7-15-16(8-14)20-10-11(9-19)17(15)21-13-4-2-12(18)3-5-13/h2-8,10H,1H3,(H,20,21)
InChIKeyVINTYIUPJMIKET-UHFFFAOYSA-N
XLogP4.00
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055680
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
4-(3-ethynylanilino)-7-methoxyquinoline-3-carbonitrile
CID 166629629
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile
CID 50768609
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
CID 142143779

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile (CID 50768736) is 4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile is COc1ccc2c(Nc3ccc(F)cc3)c(C#N)cnc2c1.
What is the InChIKey of 4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile?
The InChIKey is VINTYIUPJMIKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c1-22-14-6-7-15-16(8-14)20-10-11(9-19)17(15)21-13-4-2-12(18)3-5-13/h2-8,10H,1H3,(H,20,21).
What are the key properties of 4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile?
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile has a molecular weight of 293.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 50768736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).