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

C26H27ClN6O — CID 137431010

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)Nc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C26H27ClN6O/c1-3-33(4-2)14-12-21(34)30-26-25(28)31-23(17-9-6-5-7-10-17)24(32-26)19-15-18-11-8-13-29-22(18)20(27)16-19/h5-11,13,15-16H,3-4,12,14H2,1-2H3,(H2,28,31)(H,30,32,34)
InChIKeyWERXTTJHLCHHMO-UHFFFAOYSA-N
MW475.00 g/mol
LogP5.26
Rot. Bonds8

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

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide (PubChem CID 137431010) has the molecular formula C26H27ClN6O and a molecular weight of 475.00 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide
PubChem CID137431010
Molecular FormulaC26H27ClN6O
Molecular Weight475.00 g/mol
Exact Mass474.19
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)Nc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C26H27ClN6O/c1-3-33(4-2)14-12-21(34)30-26-25(28)31-23(17-9-6-5-7-10-17)24(32-26)19-15-18-11-8-13-29-22(18)20(27)16-19/h5-11,13,15-16H,3-4,12,14H2,1-2H3,(H2,28,31)(H,30,32,34)
InChIKeyWERXTTJHLCHHMO-UHFFFAOYSA-N
XLogP5.26
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.00
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-3-(diethylamino)propanamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide (CID 137431010) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide is CCN(CC)CCC(=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]-3-(diethylamino)propanamide?
The InChIKey is WERXTTJHLCHHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O/c1-3-33(4-2)14-12-21(34)30-26-25(28)31-23(17-9-6-5-7-10-17)24(32-26)19-15-18-11-8-13-29-22(18)20(27)16-19/h5-11,13,15-16H,3-4,12,14H2,1-2H3,(H2,28,31)(H,30,32,34).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide has a molecular weight of 475.00 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-(diethylamino)propanamide is sourced from PubChem (CID 137431010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).