N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

C25H24N4O3 — CID 649672

IUPACN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3cnccn3)cc2c1
InChIInChI=1S/C25H24N4O3/c1-2-32-21-8-9-22-19(15-21)14-20(24(30)28-22)17-29(13-10-18-6-4-3-5-7-18)25(31)23-16-26-11-12-27-23/h3-9,11-12,14-16H,2,10,13,17H2,1H3,(H,28,30)
InChIKeySUSOQPRNIKSEJR-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.60
Rot. Bonds8

About N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 649672) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID649672
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3cnccn3)cc2c1
InChIInChI=1S/C25H24N4O3/c1-2-32-21-8-9-22-19(15-21)14-20(24(30)28-22)17-29(13-10-18-6-4-3-5-7-18)25(31)23-16-26-11-12-27-23/h3-9,11-12,14-16H,2,10,13,17H2,1H3,(H,28,30)
InChIKeySUSOQPRNIKSEJR-UHFFFAOYSA-N
XLogP3.60
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 649672) is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3cnccn3)cc2c1.
What is the InChIKey of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is SUSOQPRNIKSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-32-21-8-9-22-19(15-21)14-20(24(30)28-22)17-29(13-10-18-6-4-3-5-7-18)25(31)23-16-26-11-12-27-23/h3-9,11-12,14-16H,2,10,13,17H2,1H3,(H,28,30).
What are the key properties of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 649672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).