3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile

C19H13N5O — CID 137423942

IUPAC3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C19H13N5O/c1-11-4-7-16(25-11)18-17(23-15(10-20)19(21)24-18)13-5-6-14-12(9-13)3-2-8-22-14/h2-9H,1H3,(H2,21,24)
InChIKeyHTOMQQGFMWVCAZ-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.71
Rot. Bonds2

About 3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile

3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile (PubChem CID 137423942) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
PubChem CID137423942
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC Name3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C19H13N5O/c1-11-4-7-16(25-11)18-17(23-15(10-20)19(21)24-18)13-5-6-14-12(9-13)3-2-8-22-14/h2-9H,1H3,(H2,21,24)
InChIKeyHTOMQQGFMWVCAZ-UHFFFAOYSA-N
XLogP3.71
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile (CID 137423942) is 3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile is Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The InChIKey is HTOMQQGFMWVCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O/c1-11-4-7-16(25-11)18-17(23-15(10-20)19(21)24-18)13-5-6-14-12(9-13)3-2-8-22-14/h2-9H,1H3,(H2,21,24).
What are the key properties of 3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile has a molecular weight of 327.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 137423942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).