N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide

C21H16ClN5O — CID 137430476

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C21H16ClN5O/c1-12(28)25-21-20(23)26-18(13-6-3-2-4-7-13)19(27-21)15-10-14-8-5-9-24-17(14)16(22)11-15/h2-11H,1H3,(H2,23,26)(H,25,27,28)
InChIKeyRJRQXHYEZYQLRS-UHFFFAOYSA-N
MW389.85 g/mol
LogP4.55
Rot. Bonds3

About N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide (PubChem CID 137430476) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide
PubChem CID137430476
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C21H16ClN5O/c1-12(28)25-21-20(23)26-18(13-6-3-2-4-7-13)19(27-21)15-10-14-8-5-9-24-17(14)16(22)11-15/h2-11H,1H3,(H2,23,26)(H,25,27,28)
InChIKeyRJRQXHYEZYQLRS-UHFFFAOYSA-N
XLogP4.55
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide (CID 137430476) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide is CC(=O)Nc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide?
The InChIKey is RJRQXHYEZYQLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c1-12(28)25-21-20(23)26-18(13-6-3-2-4-7-13)19(27-21)15-10-14-8-5-9-24-17(14)16(22)11-15/h2-11H,1H3,(H2,23,26)(H,25,27,28).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide has a molecular weight of 389.85 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]acetamide is sourced from PubChem (CID 137430476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).