3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide

C22H18ClN5O — CID 56944312

IUPAC3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(-c3ccccc3Cl)nc12
InChIInChI=1S/C22H18ClN5O/c1-13-5-4-6-14-11-15(12-27-22(29)20-21(24)26-10-9-25-20)19(28-18(13)14)16-7-2-3-8-17(16)23/h2-11H,12H2,1H3,(H2,24,26)(H,27,29)
InChIKeyDCXWKURWXDWAFA-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.17
Rot. Bonds4

About 3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 56944312) has the molecular formula C22H18ClN5O and a molecular weight of 403.87 g/mol. Its IUPAC name is 3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID56944312
Molecular FormulaC22H18ClN5O
Molecular Weight403.87 g/mol
Exact Mass403.12
IUPAC Name3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(-c3ccccc3Cl)nc12
InChIInChI=1S/C22H18ClN5O/c1-13-5-4-6-14-11-15(12-27-22(29)20-21(24)26-10-9-25-20)19(28-18(13)14)16-7-2-3-8-17(16)23/h2-11H,12H2,1H3,(H2,24,26)(H,27,29)
InChIKeyDCXWKURWXDWAFA-UHFFFAOYSA-N
XLogP4.17
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide (CID 56944312) is 3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide is Cc1cccc2cc(CNC(=O)c3nccnc3N)c(-c3ccccc3Cl)nc12.
What is the InChIKey of 3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is DCXWKURWXDWAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O/c1-13-5-4-6-14-11-15(12-27-22(29)20-21(24)26-10-9-25-20)19(28-18(13)14)16-7-2-3-8-17(16)23/h2-11H,12H2,1H3,(H2,24,26)(H,27,29).
What are the key properties of 3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 56944312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).