5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine

C26H21ClN6O — CID 137431318

IUPAC5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine
SMILESCNc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1
InChIInChI=1S/C26H21ClN6O/c1-29-21-10-9-16(14-31-21)15-34-26-25(28)32-23(17-6-3-2-4-7-17)24(33-26)19-12-18-8-5-11-30-22(18)20(27)13-19/h2-14H,15H2,1H3,(H2,28,32)(H,29,31)
InChIKeyCOWQRCBNGLSWDW-UHFFFAOYSA-N
MW468.95 g/mol
LogP5.61
Rot. Bonds6

About 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine (PubChem CID 137431318) has the molecular formula C26H21ClN6O and a molecular weight of 468.95 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine
PubChem CID137431318
Molecular FormulaC26H21ClN6O
Molecular Weight468.95 g/mol
Exact Mass468.15
IUPAC Name5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine
SMILESCNc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1
InChIInChI=1S/C26H21ClN6O/c1-29-21-10-9-16(14-31-21)15-34-26-25(28)32-23(17-6-3-2-4-7-17)24(33-26)19-12-18-8-5-11-30-22(18)20(27)13-19/h2-14H,15H2,1H3,(H2,28,32)(H,29,31)
InChIKeyCOWQRCBNGLSWDW-UHFFFAOYSA-N
XLogP5.61
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.95
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine (CID 137431318) is 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine is CNc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine?
The InChIKey is COWQRCBNGLSWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O/c1-29-21-10-9-16(14-31-21)15-34-26-25(28)32-23(17-6-3-2-4-7-17)24(33-26)19-12-18-8-5-11-30-22(18)20(27)13-19/h2-14H,15H2,1H3,(H2,28,32)(H,29,31).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine has a molecular weight of 468.95 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137431318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).