5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide

C21H16ClN5O — CID 109293181

IUPAC5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)Nc3cccc4cccnc34)cn2)cc1Cl
InChIInChI=1S/C21H16ClN5O/c1-13-7-8-15(10-16(13)22)26-19-12-24-18(11-25-19)21(28)27-17-6-2-4-14-5-3-9-23-20(14)17/h2-12H,1H3,(H,25,26)(H,27,28)
InChIKeyWZHIXFTZXHNTDA-UHFFFAOYSA-N
MW389.85 g/mol
LogP4.98
Rot. Bonds4

About 5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide

5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide (PubChem CID 109293181) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is 5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
PubChem CID109293181
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC Name5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)Nc3cccc4cccnc34)cn2)cc1Cl
InChIInChI=1S/C21H16ClN5O/c1-13-7-8-15(10-16(13)22)26-19-12-24-18(11-25-19)21(28)27-17-6-2-4-14-5-3-9-23-20(14)17/h2-12H,1H3,(H,25,26)(H,27,28)
InChIKeyWZHIXFTZXHNTDA-UHFFFAOYSA-N
XLogP4.98
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109291330
N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109128991
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
5-(2-ethylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109291574
5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293161
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109177701
5-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103817057
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109280202
N-(2-methoxyphenyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109293403

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide (CID 109293181) is 5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)Nc3cccc4cccnc34)cn2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide?
The InChIKey is WZHIXFTZXHNTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c1-13-7-8-15(10-16(13)22)26-19-12-24-18(11-25-19)21(28)27-17-6-2-4-14-5-3-9-23-20(14)17/h2-12H,1H3,(H,25,26)(H,27,28).
What are the key properties of 5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide?
5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide has a molecular weight of 389.85 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109293181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).