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

C24H20ClN5O — CID 137430482

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CCC1
InChIInChI=1S/C24H20ClN5O/c25-18-13-17(12-16-10-5-11-27-19(16)18)21-20(14-6-2-1-3-7-14)28-22(26)23(29-21)30-24(31)15-8-4-9-15/h1-3,5-7,10-13,15H,4,8-9H2,(H2,26,28)(H,29,30,31)
InChIKeyMYWJRILWISRWOO-UHFFFAOYSA-N
MW429.91 g/mol
LogP5.33
Rot. Bonds4

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

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide (PubChem CID 137430482) has the molecular formula C24H20ClN5O and a molecular weight of 429.91 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide
PubChem CID137430482
Molecular FormulaC24H20ClN5O
Molecular Weight429.91 g/mol
Exact Mass429.14
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CCC1
InChIInChI=1S/C24H20ClN5O/c25-18-13-17(12-16-10-5-11-27-19(16)18)21-20(14-6-2-1-3-7-14)28-22(26)23(29-21)30-24(31)15-8-4-9-15/h1-3,5-7,10-13,15H,4,8-9H2,(H2,26,28)(H,29,30,31)
InChIKeyMYWJRILWISRWOO-UHFFFAOYSA-N
XLogP5.33
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.91
LogP ≤ 55.33
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]cyclobutanecarboxamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide (CID 137430482) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CCC1.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide?
The InChIKey is MYWJRILWISRWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O/c25-18-13-17(12-16-10-5-11-27-19(16)18)21-20(14-6-2-1-3-7-14)28-22(26)23(29-21)30-24(31)15-8-4-9-15/h1-3,5-7,10-13,15H,4,8-9H2,(H2,26,28)(H,29,30,31).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide has a molecular weight of 429.91 g/mol, XLogP of 5.33, 4 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]cyclobutanecarboxamide is sourced from PubChem (CID 137430482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).