5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide

C22H19N5O — CID 109280202

IUPAC5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
SMILESCc1ccccc1CNc1cnc(C(=O)Nc2cccc3cccnc23)cn1
InChIInChI=1S/C22H19N5O/c1-15-6-2-3-7-17(15)12-25-20-14-24-19(13-26-20)22(28)27-18-10-4-8-16-9-5-11-23-21(16)18/h2-11,13-14H,12H2,1H3,(H,25,26)(H,27,28)
InChIKeyAHXOFRUYZLOTCQ-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.20
Rot. Bonds5

About 5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide

5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide (PubChem CID 109280202) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
PubChem CID109280202
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
SMILESCc1ccccc1CNc1cnc(C(=O)Nc2cccc3cccnc23)cn1
InChIInChI=1S/C22H19N5O/c1-15-6-2-3-7-17(15)12-25-20-14-24-19(13-26-20)22(28)27-18-10-4-8-16-9-5-11-23-21(16)18/h2-11,13-14H,12H2,1H3,(H,25,26)(H,27,28)
InChIKeyAHXOFRUYZLOTCQ-UHFFFAOYSA-N
XLogP4.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109291574
5-(2,6-dimethylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109291330
6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109327440
5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109273088
N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280144
5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide
CID 109189981
6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109120046
N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280199
5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109293181
5-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103817057
6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109370264
N-(2-methoxyphenyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109293403

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide (CID 109280202) is 5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide is Cc1ccccc1CNc1cnc(C(=O)Nc2cccc3cccnc23)cn1.
What is the InChIKey of 5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide?
The InChIKey is AHXOFRUYZLOTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-6-2-3-7-17(15)12-25-20-14-24-19(13-26-20)22(28)27-18-10-4-8-16-9-5-11-23-21(16)18/h2-11,13-14H,12H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide?
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109280202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).