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

C27H26ClN5O — CID 137431005

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)CC1CCCCC1
InChIInChI=1S/C27H26ClN5O/c28-21-16-20(15-19-12-7-13-30-23(19)21)25-24(18-10-5-2-6-11-18)32-26(29)27(33-25)31-22(34)14-17-8-3-1-4-9-17/h2,5-7,10-13,15-17H,1,3-4,8-9,14H2,(H2,29,32)(H,31,33,34)
InChIKeyONDSQPZRCXSQHL-UHFFFAOYSA-N
MW471.99 g/mol
LogP6.50
Rot. Bonds5

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

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide (PubChem CID 137431005) has the molecular formula C27H26ClN5O and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide
PubChem CID137431005
Molecular FormulaC27H26ClN5O
Molecular Weight471.99 g/mol
Exact Mass471.18
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)CC1CCCCC1
InChIInChI=1S/C27H26ClN5O/c28-21-16-20(15-19-12-7-13-30-23(19)21)25-24(18-10-5-2-6-11-18)32-26(29)27(33-25)31-22(34)14-17-8-3-1-4-9-17/h2,5-7,10-13,15-17H,1,3-4,8-9,14H2,(H2,29,32)(H,31,33,34)
InChIKeyONDSQPZRCXSQHL-UHFFFAOYSA-N
XLogP6.50
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 56.50
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]-2-cyclohexylacetamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide (CID 137431005) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)CC1CCCCC1.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide?
The InChIKey is ONDSQPZRCXSQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O/c28-21-16-20(15-19-12-7-13-30-23(19)21)25-24(18-10-5-2-6-11-18)32-26(29)27(33-25)31-22(34)14-17-8-3-1-4-9-17/h2,5-7,10-13,15-17H,1,3-4,8-9,14H2,(H2,29,32)(H,31,33,34).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-cyclohexylacetamide has a molecular weight of 471.99 g/mol, XLogP of 6.50, 5 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]-2-cyclohexylacetamide is sourced from PubChem (CID 137431005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).