5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide

C22H22N4O2 — CID 109290660

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCCc4ccccc43)cn2)cc1
InChIInChI=1S/C22H22N4O2/c1-2-28-18-11-9-17(10-12-18)25-22(27)19-14-24-21(15-23-19)26-13-5-7-16-6-3-4-8-20(16)26/h3-4,6,8-12,14-15H,2,5,7,13H2,1H3,(H,25,27)
InChIKeyIASVCTAFWUUGOG-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.21
Rot. Bonds5

About 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide

5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109290660) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109290660
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCCc4ccccc43)cn2)cc1
InChIInChI=1S/C22H22N4O2/c1-2-28-18-11-9-17(10-12-18)25-22(27)19-14-24-21(15-23-19)26-13-5-7-16-6-3-4-8-20(16)26/h3-4,6,8-12,14-15H,2,5,7,13H2,1H3,(H,25,27)
InChIKeyIASVCTAFWUUGOG-UHFFFAOYSA-N
XLogP4.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109162480
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109290512
5-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109290486
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109290679
2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314412
5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290481
N-cycloheptyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboxamide
CID 109287476
N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162476
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9249754
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271
6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848407
5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290489

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide (CID 109290660) is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1ccc(NC(=O)c2cnc(N3CCCc4ccccc43)cn2)cc1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is IASVCTAFWUUGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-28-18-11-9-17(10-12-18)25-22(27)19-14-24-21(15-23-19)26-13-5-7-16-6-3-4-8-20(16)26/h3-4,6,8-12,14-15H,2,5,7,13H2,1H3,(H,25,27).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).