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

C26H24ClN5O — CID 137430475

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CCCCC1
InChIInChI=1S/C26H24ClN5O/c27-20-15-19(14-18-12-7-13-29-21(18)20)23-22(16-8-3-1-4-9-16)30-24(28)25(31-23)32-26(33)17-10-5-2-6-11-17/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,28,30)(H,31,32,33)
InChIKeySGHPLXXHIDNILU-UHFFFAOYSA-N
MW457.97 g/mol
LogP6.11
Rot. Bonds4

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

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide (PubChem CID 137430475) has the molecular formula C26H24ClN5O and a molecular weight of 457.97 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide
PubChem CID137430475
Molecular FormulaC26H24ClN5O
Molecular Weight457.97 g/mol
Exact Mass457.17
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CCCCC1
InChIInChI=1S/C26H24ClN5O/c27-20-15-19(14-18-12-7-13-29-21(18)20)23-22(16-8-3-1-4-9-16)30-24(28)25(31-23)32-26(33)17-10-5-2-6-11-17/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,28,30)(H,31,32,33)
InChIKeySGHPLXXHIDNILU-UHFFFAOYSA-N
XLogP6.11
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.97
LogP ≤ 56.11
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]cyclohexanecarboxamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide (CID 137430475) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide?
The InChIKey is SGHPLXXHIDNILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O/c27-20-15-19(14-18-12-7-13-29-21(18)20)23-22(16-8-3-1-4-9-16)30-24(28)25(31-23)32-26(33)17-10-5-2-6-11-17/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,28,30)(H,31,32,33).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclohexanecarboxamide has a molecular weight of 457.97 g/mol, XLogP of 6.11, 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]cyclohexanecarboxamide is sourced from PubChem (CID 137430475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).