5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine

C21H17ClN4O — CID 137430096

IUPAC5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine
SMILESCCOc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C21H17ClN4O/c1-2-27-21-20(23)25-18(13-7-4-3-5-8-13)19(26-21)15-11-14-9-6-10-24-17(14)16(22)12-15/h3-12H,2H2,1H3,(H2,23,25)
InChIKeyCXHWHURUFGGXMV-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.99
Rot. Bonds4

About 5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine (PubChem CID 137430096) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine
PubChem CID137430096
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine
SMILESCCOc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C21H17ClN4O/c1-2-27-21-20(23)25-18(13-7-4-3-5-8-13)19(26-21)15-11-14-9-6-10-24-17(14)16(22)12-15/h3-12H,2H2,1H3,(H2,23,25)
InChIKeyCXHWHURUFGGXMV-UHFFFAOYSA-N
XLogP4.99
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-Amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile
CID 154604502
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethoxy)pyrazin-2-amine
CID 137430243
5-(8-Chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine
CID 137430247
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine
CID 137430250
5-(8-Chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
CID 137430566
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137430568
5-(8-Chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine
CID 137431193
3-Amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile
CID 137431224
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine
CID 137431321
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
CID 137431326
3-Amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile
CID 137431515
3-Amino-6-(8-chloro-4-propan-2-ylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile
CID 137431516

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine (CID 137430096) is 5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine is CCOc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine?
The InChIKey is CXHWHURUFGGXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-2-27-21-20(23)25-18(13-7-4-3-5-8-13)19(26-21)15-11-14-9-6-10-24-17(14)16(22)12-15/h3-12H,2H2,1H3,(H2,23,25).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine has a molecular weight of 376.85 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-ethoxy-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).