3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide

C26H24ClN5O2 — CID 154604638

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NCC1CCOCC1
InChIInChI=1S/C26H24ClN5O2/c27-20-14-19(13-18-7-4-10-29-21(18)20)23-22(17-5-2-1-3-6-17)32-25(28)24(31-23)26(33)30-15-16-8-11-34-12-9-16/h1-7,10,13-14,16H,8-9,11-12,15H2,(H2,28,32)(H,30,33)
InChIKeyPDFUEEVVCBILMJ-UHFFFAOYSA-N
MW473.96 g/mol
LogP4.75
Rot. Bonds5

About 3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide (PubChem CID 154604638) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide
PubChem CID154604638
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NCC1CCOCC1
InChIInChI=1S/C26H24ClN5O2/c27-20-14-19(13-18-7-4-10-29-21(18)20)23-22(17-5-2-1-3-6-17)32-25(28)24(31-23)26(33)30-15-16-8-11-34-12-9-16/h1-7,10,13-14,16H,8-9,11-12,15H2,(H2,28,32)(H,30,33)
InChIKeyPDFUEEVVCBILMJ-UHFFFAOYSA-N
XLogP4.75
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide (CID 154604638) is 3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NCC1CCOCC1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide?
The InChIKey is PDFUEEVVCBILMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c27-20-14-19(13-18-7-4-10-29-21(18)20)23-22(17-5-2-1-3-6-17)32-25(28)24(31-23)26(33)30-15-16-8-11-34-12-9-16/h1-7,10,13-14,16H,8-9,11-12,15H2,(H2,28,32)(H,30,33).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide has a molecular weight of 473.96 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-(oxan-4-ylmethyl)-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 154604638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).