3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile

C26H19FN6O — CID 137430648

IUPAC3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(NCc4ccc(F)cc4)c3c2)o1
InChIInChI=1S/C26H19FN6O/c1-15-2-9-23(34-15)25-24(32-22(13-28)26(29)33-25)17-5-8-20-19(12-17)21(10-11-30-20)31-14-16-3-6-18(27)7-4-16/h2-12H,14H2,1H3,(H2,29,33)(H,30,31)
InChIKeyCWCPHDQPLNPNAX-UHFFFAOYSA-N
MW450.48 g/mol
LogP5.47
Rot. Bonds5

About 3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile

3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile (PubChem CID 137430648) has the molecular formula C26H19FN6O and a molecular weight of 450.48 g/mol. Its IUPAC name is 3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
PubChem CID137430648
Molecular FormulaC26H19FN6O
Molecular Weight450.48 g/mol
Exact Mass450.16
IUPAC Name3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(NCc4ccc(F)cc4)c3c2)o1
InChIInChI=1S/C26H19FN6O/c1-15-2-9-23(34-15)25-24(32-22(13-28)26(29)33-25)17-5-8-20-19(12-17)21(10-11-30-20)31-14-16-3-6-18(27)7-4-16/h2-12H,14H2,1H3,(H2,29,33)(H,30,31)
InChIKeyCWCPHDQPLNPNAX-UHFFFAOYSA-N
XLogP5.47
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819
2-amino-6-(4-fluorophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 665592
N-[(4-methoxyphenyl)methyl]-6-methylquinolin-4-amine
CID 133466915
6-(5-methylfuran-2-yl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 137372466
3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430158
5-[(4-fluorophenyl)methylamino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 2408635
2-(3,4-dimethoxyphenyl)-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile
CID 664710
3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430735
3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile
CID 43728284
5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
CID 142401027
3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137431828
3-amino-4-[(4-fluorophenyl)methylamino]benzonitrile
CID 43518027

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile (CID 137430648) is 3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile is Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(NCc4ccc(F)cc4)c3c2)o1.
What is the InChIKey of 3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?
The InChIKey is CWCPHDQPLNPNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O/c1-15-2-9-23(34-15)25-24(32-22(13-28)26(29)33-25)17-5-8-20-19(12-17)21(10-11-30-20)31-14-16-3-6-18(27)7-4-16/h2-12H,14H2,1H3,(H2,29,33)(H,30,31).
What are the key properties of 3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?
3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile has a molecular weight of 450.48 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[(4-fluorophenyl)methylamino]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).