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

C23H20ClN5O — CID 137430481

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C23H20ClN5O/c1-3-18(30)29(2)23-22(25)27-20(14-8-5-4-6-9-14)21(28-23)16-12-15-10-7-11-26-19(15)17(24)13-16/h4-13H,3H2,1-2H3,(H2,25,27)
InChIKeyMHMWENISKJCLKM-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.97
Rot. Bonds4

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

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide (PubChem CID 137430481) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide
PubChem CID137430481
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C23H20ClN5O/c1-3-18(30)29(2)23-22(25)27-20(14-8-5-4-6-9-14)21(28-23)16-12-15-10-7-11-26-19(15)17(24)13-16/h4-13H,3H2,1-2H3,(H2,25,27)
InChIKeyMHMWENISKJCLKM-UHFFFAOYSA-N
XLogP4.97
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
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]-N-methylpropanamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide (CID 137430481) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide is CCC(=O)N(C)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide?
The InChIKey is MHMWENISKJCLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c1-3-18(30)29(2)23-22(25)27-20(14-8-5-4-6-9-14)21(28-23)16-12-15-10-7-11-26-19(15)17(24)13-16/h4-13H,3H2,1-2H3,(H2,25,27).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide has a molecular weight of 417.90 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 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]-N-methylpropanamide is sourced from PubChem (CID 137430481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).