3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile

C24H15FN6 — CID 129033158

IUPAC3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile
SMILESN#Cc1ccc2cc(CNc3ncnc(-c4ccc5ncccc5c4)c3F)cnc2c1
InChIInChI=1S/C24H15FN6/c25-22-23(19-5-6-20-17(10-19)2-1-7-27-20)30-14-31-24(22)29-13-16-8-18-4-3-15(11-26)9-21(18)28-12-16/h1-10,12,14H,13H2,(H,29,30,31)
InChIKeyZSRTUWARRTUWEL-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.86
Rot. Bonds4

About 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile

3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile (PubChem CID 129033158) has the molecular formula C24H15FN6 and a molecular weight of 406.42 g/mol. Its IUPAC name is 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile.

Molecular Properties

Compound Name3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile
PubChem CID129033158
Molecular FormulaC24H15FN6
Molecular Weight406.42 g/mol
Exact Mass406.13
IUPAC Name3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile
SMILESN#Cc1ccc2cc(CNc3ncnc(-c4ccc5ncccc5c4)c3F)cnc2c1
InChIInChI=1S/C24H15FN6/c25-22-23(19-5-6-20-17(10-19)2-1-7-27-20)30-14-31-24(22)29-13-16-8-18-4-3-15(11-26)9-21(18)28-12-16/h1-10,12,14H,13H2,(H,29,30,31)
InChIKeyZSRTUWARRTUWEL-UHFFFAOYSA-N
XLogP4.86
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile 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

6-[[[5-fluoro-6-(3-methylquinolin-6-yl)pyrimidin-4-yl]amino]methyl]naphthalene-2-carbonitrile
CID 146200077
3-[[[4-[3-ethenyl-4-(methylideneamino)phenyl]-3-fluoro-2-pyridinyl]amino]methyl]quinoline-7-carbonitrile
CID 145293470
6-[[[6-[4-amino-3-[(E)-prop-1-enyl]phenyl]-5-fluoropyrimidin-4-yl]amino]methyl]naphthalene-2-carbonitrile
CID 129033346
5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine
CID 129033475
6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile
CID 145293457
3-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-quinolin-6-ylpyridin-2-amine
CID 129033215
3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine
CID 129033216
formic acid;4-(quinolin-3-ylmethylamino)benzonitrile
CID 171677640
3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
CID 3235560
ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine
CID 145375140
2-quinolin-3-ylpyridine-4-carbonitrile
CID 56718080
3-[[[5-[3-ethenyl-4-(methylideneamino)phenyl]-1,2,4-thiadiazol-3-yl]amino]methyl]quinoline-7-carbonitrile
CID 145293539

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile?
The IUPAC name of 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile (CID 129033158) is 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile.
What is the SMILES notation for 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile?
The canonical SMILES for 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile is N#Cc1ccc2cc(CNc3ncnc(-c4ccc5ncccc5c4)c3F)cnc2c1.
What is the InChIKey of 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile?
The InChIKey is ZSRTUWARRTUWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6/c25-22-23(19-5-6-20-17(10-19)2-1-7-27-20)30-14-31-24(22)29-13-16-8-18-4-3-15(11-26)9-21(18)28-12-16/h1-10,12,14H,13H2,(H,29,30,31).
What are the key properties of 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile?
3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile has a molecular weight of 406.42 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile is sourced from PubChem (CID 129033158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).