(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate

C26H24ClN5O2 — CID 137431013

IUPAC(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
SMILESCC1CC(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CN1C
InChIInChI=1S/C26H24ClN5O2/c1-15-11-19(14-32(15)2)34-26(33)24-25(28)31-22(16-7-4-3-5-8-16)23(30-24)18-12-17-9-6-10-29-21(17)20(27)13-18/h3-10,12-13,15,19H,11,14H2,1-2H3,(H2,28,31)
InChIKeyGCDCIJITYBMZRM-UHFFFAOYSA-N
MW473.96 g/mol
LogP4.84
Rot. Bonds4

About (1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate

(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate (PubChem CID 137431013) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is (1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
PubChem CID137431013
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC Name(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
SMILESCC1CC(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CN1C
InChIInChI=1S/C26H24ClN5O2/c1-15-11-19(14-32(15)2)34-26(33)24-25(28)31-22(16-7-4-3-5-8-16)23(30-24)18-12-17-9-6-10-29-21(17)20(27)13-18/h3-10,12-13,15,19H,11,14H2,1-2H3,(H2,28,31)
InChIKeyGCDCIJITYBMZRM-UHFFFAOYSA-N
XLogP4.84
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
The IUPAC name of (1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate (CID 137431013) is (1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate.
What is the SMILES notation for (1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
The canonical SMILES for (1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate is CC1CC(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CN1C.
What is the InChIKey of (1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
The InChIKey is GCDCIJITYBMZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-15-11-19(14-32(15)2)34-26(33)24-25(28)31-22(16-7-4-3-5-8-16)23(30-24)18-12-17-9-6-10-29-21(17)20(27)13-18/h3-10,12-13,15,19H,11,14H2,1-2H3,(H2,28,31).
What are the key properties of (1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
(1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate has a molecular weight of 473.96 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrrolidin-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate is sourced from PubChem (CID 137431013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).